USER MOD reduce.3.24.130724 H: found=0, std=0, add=722, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 731 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 94 SER OG : rot -92:sc= 1.01 USER MOD Set 1.2: A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 163:sc= -0.0518 (180deg=-0.34) USER MOD Single : A 16 HIS : no HD1:sc= -0.674 X(o=-0.67,f=-0.67) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -0.336 X(o=-0.34,f=0.071) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0.00765 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -45:sc= 1.16 USER MOD Single : A 34 SER OG : rot 143:sc= 0.735 USER MOD Single : A 37 ASN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 39 SER OG : rot 90:sc= -0.091 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 44:sc= 0.955 USER MOD Single : A 51 GLN : amide:sc= -0.165 K(o=-0.16,f=-2.3!) USER MOD Single : A 53 SER OG : rot 180:sc= -0.06 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 0:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= -0.762 K(o=-0.76,f=-0.14) USER MOD Single : A 65 TYR OH : rot -151:sc= -4.25! USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0907 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.432 USER MOD Single : A 74 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.0043) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.576! USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.0496 USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 92 HIS : no HD1:sc= -0.353 X(o=-0.35,f=-0.031) USER MOD Single : A 93 HIS : no HD1:sc= -7.01! C(o=-7!,f=-7.6!) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 32:sc= 0.301 USER MOD Single : A 105 HIS : no HD1:sc= -0.047 X(o=-0.047,f=-0.008) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 170 N LYS A 15 -8.558 -0.962 -10.424 1.00 0.00 N ATOM 171 CA LYS A 15 -9.620 -0.239 -11.116 1.00 0.00 C ATOM 172 C LYS A 15 -9.917 1.085 -10.422 1.00 0.00 C ATOM 173 O LYS A 15 -10.039 2.124 -11.071 1.00 0.00 O ATOM 174 CB LYS A 15 -10.888 -1.093 -11.179 1.00 0.00 C ATOM 175 CG LYS A 15 -10.965 -1.979 -12.409 1.00 0.00 C ATOM 176 CD LYS A 15 -12.379 -2.485 -12.645 1.00 0.00 C ATOM 177 CE LYS A 15 -12.413 -3.564 -13.718 1.00 0.00 C ATOM 178 NZ LYS A 15 -11.706 -4.800 -13.283 1.00 0.00 N ATOM 0 HA LYS A 15 -9.282 -0.028 -12.131 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -10.939 -1.718 -10.288 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -11.759 -0.437 -11.159 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -10.627 -1.421 -13.282 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -10.289 -2.826 -12.291 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -12.784 -2.883 -11.715 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -13.019 -1.654 -12.942 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -13.449 -3.804 -13.960 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -11.953 -3.184 -14.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -11.987 -5.594 -13.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -10.679 -4.655 -13.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -11.958 -5.016 -12.297 1.00 0.00 H new ATOM 192 N HIS A 16 -10.036 1.041 -9.099 1.00 0.00 N ATOM 193 CA HIS A 16 -10.318 2.238 -8.316 1.00 0.00 C ATOM 194 C HIS A 16 -9.157 3.224 -8.392 1.00 0.00 C ATOM 195 O HIS A 16 -8.033 2.850 -8.729 1.00 0.00 O ATOM 196 CB HIS A 16 -10.594 1.868 -6.858 1.00 0.00 C ATOM 197 CG HIS A 16 -11.443 0.644 -6.701 1.00 0.00 C ATOM 198 ND1 HIS A 16 -12.775 0.602 -7.056 1.00 0.00 N ATOM 199 CD2 HIS A 16 -11.143 -0.587 -6.227 1.00 0.00 C ATOM 200 CE1 HIS A 16 -13.257 -0.603 -6.805 1.00 0.00 C ATOM 201 NE2 HIS A 16 -12.286 -1.343 -6.301 1.00 0.00 N ATOM 0 H HIS A 16 -9.941 0.189 -8.547 1.00 0.00 H new ATOM 0 HA HIS A 16 -11.204 2.715 -8.735 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -9.645 1.710 -6.346 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -11.086 2.707 -6.366 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -10.182 -0.914 -5.859 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -14.272 -0.927 -6.982 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -12.372 -2.318 -6.014 1.00 0.00 H new ATOM 210 N SER A 17 -9.435 4.485 -8.077 1.00 0.00 N ATOM 211 CA SER A 17 -8.413 5.526 -8.114 1.00 0.00 C ATOM 212 C SER A 17 -7.703 5.637 -6.769 1.00 0.00 C ATOM 213 O SER A 17 -6.478 5.748 -6.709 1.00 0.00 O ATOM 214 CB SER A 17 -9.039 6.871 -8.485 1.00 0.00 C ATOM 215 OG SER A 17 -9.405 6.903 -9.854 1.00 0.00 O ATOM 0 H SER A 17 -10.359 4.811 -7.793 1.00 0.00 H new ATOM 0 HA SER A 17 -7.679 5.254 -8.872 1.00 0.00 H new ATOM 0 HB2 SER A 17 -9.918 7.050 -7.866 1.00 0.00 H new ATOM 0 HB3 SER A 17 -8.333 7.675 -8.275 1.00 0.00 H new ATOM 0 HG SER A 17 -9.804 7.773 -10.066 1.00 0.00 H new ATOM 221 N TRP A 18 -8.479 5.605 -5.693 1.00 0.00 N ATOM 222 CA TRP A 18 -7.925 5.703 -4.346 1.00 0.00 C ATOM 223 C TRP A 18 -6.989 4.534 -4.057 1.00 0.00 C ATOM 224 O TRP A 18 -5.925 4.712 -3.464 1.00 0.00 O ATOM 225 CB TRP A 18 -9.049 5.740 -3.311 1.00 0.00 C ATOM 226 CG TRP A 18 -10.266 4.967 -3.725 1.00 0.00 C ATOM 227 CD1 TRP A 18 -11.320 5.431 -4.459 1.00 0.00 C ATOM 228 CD2 TRP A 18 -10.552 3.595 -3.430 1.00 0.00 C ATOM 229 NE1 TRP A 18 -12.245 4.430 -4.636 1.00 0.00 N ATOM 230 CE2 TRP A 18 -11.796 3.295 -4.016 1.00 0.00 C ATOM 231 CE3 TRP A 18 -9.876 2.593 -2.730 1.00 0.00 C ATOM 232 CZ2 TRP A 18 -12.378 2.033 -3.921 1.00 0.00 C ATOM 233 CZ3 TRP A 18 -10.454 1.342 -2.635 1.00 0.00 C ATOM 234 CH2 TRP A 18 -11.695 1.071 -3.227 1.00 0.00 C ATOM 0 H TRP A 18 -9.494 5.512 -5.725 1.00 0.00 H new ATOM 0 HA TRP A 18 -7.352 6.628 -4.282 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -8.677 5.340 -2.368 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -9.331 6.777 -3.129 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -11.413 6.436 -4.844 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -13.124 4.518 -5.147 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -8.919 2.793 -2.271 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -13.333 1.821 -4.378 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -9.941 0.560 -2.095 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -12.121 0.083 -3.134 1.00 0.00 H new ATOM 245 N TYR A 19 -7.390 3.341 -4.481 1.00 0.00 N ATOM 246 CA TYR A 19 -6.588 2.143 -4.265 1.00 0.00 C ATOM 247 C TYR A 19 -5.269 2.227 -5.029 1.00 0.00 C ATOM 248 O TYR A 19 -5.252 2.452 -6.239 1.00 0.00 O ATOM 249 CB TYR A 19 -7.364 0.899 -4.700 1.00 0.00 C ATOM 250 CG TYR A 19 -6.729 -0.397 -4.251 1.00 0.00 C ATOM 251 CD1 TYR A 19 -6.463 -0.636 -2.910 1.00 0.00 C ATOM 252 CD2 TYR A 19 -6.397 -1.386 -5.171 1.00 0.00 C ATOM 253 CE1 TYR A 19 -5.882 -1.819 -2.496 1.00 0.00 C ATOM 254 CE2 TYR A 19 -5.817 -2.571 -4.766 1.00 0.00 C ATOM 255 CZ TYR A 19 -5.561 -2.784 -3.427 1.00 0.00 C ATOM 256 OH TYR A 19 -4.984 -3.965 -3.019 1.00 0.00 O ATOM 0 H TYR A 19 -8.266 3.178 -4.977 1.00 0.00 H new ATOM 0 HA TYR A 19 -6.367 2.071 -3.200 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -8.377 0.955 -4.301 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -7.449 0.895 -5.787 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -6.715 0.116 -2.177 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -6.596 -1.224 -6.220 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -5.680 -1.987 -1.448 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -5.565 -3.328 -5.494 1.00 0.00 H new ATOM 0 HH TYR A 19 -4.822 -4.537 -3.798 1.00 0.00 H new ATOM 266 N HIS A 20 -4.165 2.042 -4.311 1.00 0.00 N ATOM 267 CA HIS A 20 -2.841 2.094 -4.919 1.00 0.00 C ATOM 268 C HIS A 20 -2.148 0.738 -4.831 1.00 0.00 C ATOM 269 O HIS A 20 -1.506 0.295 -5.782 1.00 0.00 O ATOM 270 CB HIS A 20 -1.985 3.162 -4.238 1.00 0.00 C ATOM 271 CG HIS A 20 -2.107 4.517 -4.863 1.00 0.00 C ATOM 272 ND1 HIS A 20 -1.179 5.025 -5.746 1.00 0.00 N ATOM 273 CD2 HIS A 20 -3.059 5.472 -4.730 1.00 0.00 C ATOM 274 CE1 HIS A 20 -1.552 6.233 -6.129 1.00 0.00 C ATOM 275 NE2 HIS A 20 -2.690 6.528 -5.527 1.00 0.00 N ATOM 0 H HIS A 20 -4.162 1.855 -3.308 1.00 0.00 H new ATOM 0 HA HIS A 20 -2.962 2.352 -5.971 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -2.270 3.229 -3.188 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -0.941 2.851 -4.266 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -3.943 5.414 -4.112 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -1.017 6.871 -6.817 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -3.210 7.399 -5.636 1.00 0.00 H new ATOM 284 N GLY A 21 -2.283 0.083 -3.682 1.00 0.00 N ATOM 285 CA GLY A 21 -1.665 -1.215 -3.490 1.00 0.00 C ATOM 286 C GLY A 21 -0.541 -1.178 -2.474 1.00 0.00 C ATOM 287 O GLY A 21 -0.710 -0.707 -1.348 1.00 0.00 O ATOM 0 H GLY A 21 -2.810 0.429 -2.880 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -2.421 -1.929 -3.165 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.277 -1.574 -4.443 1.00 0.00 H new ATOM 291 N PRO A 22 0.635 -1.685 -2.869 1.00 0.00 N ATOM 292 CA PRO A 22 1.815 -1.721 -1.997 1.00 0.00 C ATOM 293 C PRO A 22 2.388 -0.331 -1.741 1.00 0.00 C ATOM 294 O PRO A 22 3.040 0.252 -2.607 1.00 0.00 O ATOM 295 CB PRO A 22 2.811 -2.573 -2.784 1.00 0.00 C ATOM 296 CG PRO A 22 2.403 -2.417 -4.208 1.00 0.00 C ATOM 297 CD PRO A 22 0.907 -2.263 -4.194 1.00 0.00 C ATOM 0 HA PRO A 22 1.581 -2.118 -1.009 1.00 0.00 H new ATOM 0 HB2 PRO A 22 3.834 -2.232 -2.626 1.00 0.00 H new ATOM 0 HB3 PRO A 22 2.771 -3.617 -2.473 1.00 0.00 H new ATOM 0 HG2 PRO A 22 2.881 -1.547 -4.658 1.00 0.00 H new ATOM 0 HG3 PRO A 22 2.701 -3.285 -4.797 1.00 0.00 H new ATOM 0 HD2 PRO A 22 0.563 -1.609 -4.996 1.00 0.00 H new ATOM 0 HD3 PRO A 22 0.403 -3.221 -4.325 1.00 0.00 H new ATOM 305 N VAL A 23 2.141 0.195 -0.544 1.00 0.00 N ATOM 306 CA VAL A 23 2.634 1.515 -0.173 1.00 0.00 C ATOM 307 C VAL A 23 3.128 1.533 1.268 1.00 0.00 C ATOM 308 O VAL A 23 2.490 0.975 2.160 1.00 0.00 O ATOM 309 CB VAL A 23 1.544 2.590 -0.344 1.00 0.00 C ATOM 310 CG1 VAL A 23 2.070 3.956 0.071 1.00 0.00 C ATOM 311 CG2 VAL A 23 1.041 2.616 -1.779 1.00 0.00 C ATOM 0 H VAL A 23 1.602 -0.274 0.184 1.00 0.00 H new ATOM 0 HA VAL A 23 3.465 1.741 -0.841 1.00 0.00 H new ATOM 0 HB VAL A 23 0.706 2.338 0.305 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.286 4.702 -0.057 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.375 3.926 1.117 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.926 4.220 -0.549 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.272 3.381 -1.881 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.869 2.842 -2.451 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.621 1.643 -2.035 1.00 0.00 H new ATOM 321 N SER A 24 4.270 2.178 1.489 1.00 0.00 N ATOM 322 CA SER A 24 4.853 2.264 2.823 1.00 0.00 C ATOM 323 C SER A 24 4.059 3.229 3.700 1.00 0.00 C ATOM 324 O SER A 24 3.195 3.960 3.214 1.00 0.00 O ATOM 325 CB SER A 24 6.311 2.719 2.737 1.00 0.00 C ATOM 326 OG SER A 24 7.073 1.835 1.931 1.00 0.00 O ATOM 0 H SER A 24 4.809 2.648 0.762 1.00 0.00 H new ATOM 0 HA SER A 24 4.815 1.273 3.275 1.00 0.00 H new ATOM 0 HB2 SER A 24 6.357 3.726 2.323 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.741 2.766 3.738 1.00 0.00 H new ATOM 0 HG SER A 24 8.001 2.148 1.890 1.00 0.00 H new ATOM 332 N ARG A 25 4.360 3.225 4.994 1.00 0.00 N ATOM 333 CA ARG A 25 3.675 4.098 5.941 1.00 0.00 C ATOM 334 C ARG A 25 4.108 5.550 5.753 1.00 0.00 C ATOM 335 O ARG A 25 3.289 6.465 5.827 1.00 0.00 O ATOM 336 CB ARG A 25 3.960 3.652 7.377 1.00 0.00 C ATOM 337 CG ARG A 25 5.436 3.422 7.663 1.00 0.00 C ATOM 338 CD ARG A 25 5.701 3.302 9.154 1.00 0.00 C ATOM 339 NE ARG A 25 7.125 3.167 9.447 1.00 0.00 N ATOM 340 CZ ARG A 25 7.786 2.018 9.362 1.00 0.00 C ATOM 341 NH1 ARG A 25 7.156 0.911 8.995 1.00 0.00 N ATOM 342 NH2 ARG A 25 9.082 1.974 9.644 1.00 0.00 N ATOM 0 H ARG A 25 5.073 2.627 5.411 1.00 0.00 H new ATOM 0 HA ARG A 25 2.604 4.028 5.752 1.00 0.00 H new ATOM 0 HB2 ARG A 25 3.579 4.407 8.065 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.412 2.731 7.578 1.00 0.00 H new ATOM 0 HG2 ARG A 25 5.768 2.515 7.159 1.00 0.00 H new ATOM 0 HG3 ARG A 25 6.020 4.246 7.254 1.00 0.00 H new ATOM 0 HD2 ARG A 25 5.308 4.181 9.664 1.00 0.00 H new ATOM 0 HD3 ARG A 25 5.166 2.438 9.549 1.00 0.00 H new ATOM 0 HE ARG A 25 7.640 4.000 9.732 1.00 0.00 H new ATOM 0 HH11 ARG A 25 6.160 0.940 8.777 1.00 0.00 H new ATOM 0 HH12 ARG A 25 7.667 0.031 8.931 1.00 0.00 H new ATOM 0 HH21 ARG A 25 9.572 2.823 9.926 1.00 0.00 H new ATOM 0 HH22 ARG A 25 9.589 1.091 9.578 1.00 0.00 H new ATOM 356 N SER A 26 5.399 5.750 5.509 1.00 0.00 N ATOM 357 CA SER A 26 5.941 7.089 5.315 1.00 0.00 C ATOM 358 C SER A 26 5.592 7.620 3.928 1.00 0.00 C ATOM 359 O SER A 26 5.289 8.801 3.761 1.00 0.00 O ATOM 360 CB SER A 26 7.458 7.082 5.503 1.00 0.00 C ATOM 361 OG SER A 26 8.063 6.061 4.728 1.00 0.00 O ATOM 0 H SER A 26 6.089 5.002 5.441 1.00 0.00 H new ATOM 0 HA SER A 26 5.494 7.746 6.061 1.00 0.00 H new ATOM 0 HB2 SER A 26 7.868 8.051 5.217 1.00 0.00 H new ATOM 0 HB3 SER A 26 7.696 6.933 6.556 1.00 0.00 H new ATOM 0 HG SER A 26 9.033 6.078 4.864 1.00 0.00 H new ATOM 367 N ALA A 27 5.638 6.738 2.935 1.00 0.00 N ATOM 368 CA ALA A 27 5.326 7.115 1.561 1.00 0.00 C ATOM 369 C ALA A 27 3.868 7.544 1.428 1.00 0.00 C ATOM 370 O ALA A 27 3.566 8.569 0.816 1.00 0.00 O ATOM 371 CB ALA A 27 5.627 5.963 0.616 1.00 0.00 C ATOM 0 H ALA A 27 5.888 5.757 3.056 1.00 0.00 H new ATOM 0 HA ALA A 27 5.954 7.964 1.292 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.389 6.259 -0.406 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.684 5.705 0.682 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.024 5.098 0.893 1.00 0.00 H new ATOM 377 N ALA A 28 2.969 6.754 2.004 1.00 0.00 N ATOM 378 CA ALA A 28 1.544 7.052 1.950 1.00 0.00 C ATOM 379 C ALA A 28 1.246 8.420 2.553 1.00 0.00 C ATOM 380 O ALA A 28 0.226 9.036 2.245 1.00 0.00 O ATOM 381 CB ALA A 28 0.750 5.972 2.671 1.00 0.00 C ATOM 0 H ALA A 28 3.203 5.902 2.514 1.00 0.00 H new ATOM 0 HA ALA A 28 1.242 7.071 0.903 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -0.313 6.208 2.622 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.930 5.009 2.194 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.064 5.925 3.714 1.00 0.00 H new ATOM 387 N GLU A 29 2.144 8.891 3.414 1.00 0.00 N ATOM 388 CA GLU A 29 1.975 10.187 4.061 1.00 0.00 C ATOM 389 C GLU A 29 2.465 11.314 3.157 1.00 0.00 C ATOM 390 O GLU A 29 1.820 12.355 3.037 1.00 0.00 O ATOM 391 CB GLU A 29 2.730 10.220 5.391 1.00 0.00 C ATOM 392 CG GLU A 29 2.143 9.298 6.446 1.00 0.00 C ATOM 393 CD GLU A 29 3.110 9.023 7.584 1.00 0.00 C ATOM 394 OE1 GLU A 29 2.982 7.959 8.225 1.00 0.00 O ATOM 395 OE2 GLU A 29 3.991 9.871 7.832 1.00 0.00 O ATOM 0 H GLU A 29 2.995 8.395 3.679 1.00 0.00 H new ATOM 0 HA GLU A 29 0.912 10.334 4.252 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.770 9.943 5.216 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.732 11.241 5.773 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.233 9.744 6.847 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.857 8.355 5.981 1.00 0.00 H new ATOM 403 N TYR A 30 3.612 11.099 2.523 1.00 0.00 N ATOM 404 CA TYR A 30 4.192 12.097 1.631 1.00 0.00 C ATOM 405 C TYR A 30 3.458 12.125 0.294 1.00 0.00 C ATOM 406 O TYR A 30 2.939 13.162 -0.121 1.00 0.00 O ATOM 407 CB TYR A 30 5.677 11.808 1.406 1.00 0.00 C ATOM 408 CG TYR A 30 6.337 12.757 0.430 1.00 0.00 C ATOM 409 CD1 TYR A 30 6.578 14.082 0.775 1.00 0.00 C ATOM 410 CD2 TYR A 30 6.721 12.329 -0.834 1.00 0.00 C ATOM 411 CE1 TYR A 30 7.179 14.952 -0.112 1.00 0.00 C ATOM 412 CE2 TYR A 30 7.325 13.193 -1.728 1.00 0.00 C ATOM 413 CZ TYR A 30 7.552 14.503 -1.362 1.00 0.00 C ATOM 414 OH TYR A 30 8.152 15.368 -2.249 1.00 0.00 O ATOM 0 H TYR A 30 4.159 10.243 2.610 1.00 0.00 H new ATOM 0 HA TYR A 30 4.087 13.074 2.102 1.00 0.00 H new ATOM 0 HB2 TYR A 30 6.198 11.862 2.362 1.00 0.00 H new ATOM 0 HB3 TYR A 30 5.789 10.787 1.040 1.00 0.00 H new ATOM 0 HD1 TYR A 30 6.290 14.437 1.754 1.00 0.00 H new ATOM 0 HD2 TYR A 30 6.545 11.304 -1.123 1.00 0.00 H new ATOM 0 HE1 TYR A 30 7.356 15.979 0.171 1.00 0.00 H new ATOM 0 HE2 TYR A 30 7.617 12.844 -2.707 1.00 0.00 H new ATOM 0 HH TYR A 30 8.353 14.894 -3.083 1.00 0.00 H new ATOM 424 N LEU A 31 3.419 10.979 -0.375 1.00 0.00 N ATOM 425 CA LEU A 31 2.749 10.869 -1.666 1.00 0.00 C ATOM 426 C LEU A 31 1.433 11.641 -1.663 1.00 0.00 C ATOM 427 O LEU A 31 1.232 12.550 -2.469 1.00 0.00 O ATOM 428 CB LEU A 31 2.492 9.401 -2.007 1.00 0.00 C ATOM 429 CG LEU A 31 2.428 9.058 -3.495 1.00 0.00 C ATOM 430 CD1 LEU A 31 2.792 7.599 -3.724 1.00 0.00 C ATOM 431 CD2 LEU A 31 1.044 9.358 -4.054 1.00 0.00 C ATOM 0 H LEU A 31 3.843 10.112 -0.045 1.00 0.00 H new ATOM 0 HA LEU A 31 3.402 11.302 -2.424 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.278 8.800 -1.550 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.552 9.101 -1.545 1.00 0.00 H new ATOM 0 HG LEU A 31 3.153 9.679 -4.021 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.741 7.374 -4.789 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.804 7.415 -3.363 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.093 6.960 -3.184 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.018 9.107 -5.114 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.300 8.764 -3.522 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.822 10.417 -3.926 1.00 0.00 H new ATOM 443 N LEU A 32 0.539 11.273 -0.750 1.00 0.00 N ATOM 444 CA LEU A 32 -0.757 11.931 -0.640 1.00 0.00 C ATOM 445 C LEU A 32 -0.605 13.448 -0.705 1.00 0.00 C ATOM 446 O LEU A 32 -1.294 14.118 -1.474 1.00 0.00 O ATOM 447 CB LEU A 32 -1.444 11.532 0.667 1.00 0.00 C ATOM 448 CG LEU A 32 -1.918 10.081 0.761 1.00 0.00 C ATOM 449 CD1 LEU A 32 -2.304 9.736 2.191 1.00 0.00 C ATOM 450 CD2 LEU A 32 -3.086 9.840 -0.182 1.00 0.00 C ATOM 0 H LEU A 32 0.689 10.522 -0.076 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.373 11.609 -1.480 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.754 11.722 1.489 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.304 12.185 0.816 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.096 9.431 0.462 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.639 8.700 2.238 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.441 9.868 2.843 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.110 10.393 2.519 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.410 8.802 -0.102 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.911 10.500 0.085 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.775 10.045 -1.206 1.00 0.00 H new ATOM 462 N SER A 33 0.302 13.982 0.107 1.00 0.00 N ATOM 463 CA SER A 33 0.543 15.419 0.142 1.00 0.00 C ATOM 464 C SER A 33 1.137 15.904 -1.179 1.00 0.00 C ATOM 465 O SER A 33 0.916 17.043 -1.591 1.00 0.00 O ATOM 466 CB SER A 33 1.484 15.772 1.296 1.00 0.00 C ATOM 467 OG SER A 33 2.833 15.506 0.954 1.00 0.00 O ATOM 0 H SER A 33 0.881 13.441 0.749 1.00 0.00 H new ATOM 0 HA SER A 33 -0.414 15.918 0.296 1.00 0.00 H new ATOM 0 HB2 SER A 33 1.371 16.826 1.552 1.00 0.00 H new ATOM 0 HB3 SER A 33 1.210 15.198 2.181 1.00 0.00 H new ATOM 0 HG SER A 33 2.893 14.632 0.515 1.00 0.00 H new ATOM 473 N SER A 34 1.891 15.030 -1.836 1.00 0.00 N ATOM 474 CA SER A 34 2.520 15.367 -3.108 1.00 0.00 C ATOM 475 C SER A 34 1.483 15.450 -4.223 1.00 0.00 C ATOM 476 O SER A 34 1.586 16.284 -5.123 1.00 0.00 O ATOM 477 CB SER A 34 3.588 14.331 -3.465 1.00 0.00 C ATOM 478 OG SER A 34 4.851 14.698 -2.939 1.00 0.00 O ATOM 0 H SER A 34 2.082 14.083 -1.509 1.00 0.00 H new ATOM 0 HA SER A 34 2.993 16.343 -3.002 1.00 0.00 H new ATOM 0 HB2 SER A 34 3.298 13.356 -3.075 1.00 0.00 H new ATOM 0 HB3 SER A 34 3.656 14.233 -4.548 1.00 0.00 H new ATOM 0 HG SER A 34 5.328 13.895 -2.644 1.00 0.00 H new ATOM 484 N LEU A 35 0.482 14.578 -4.156 1.00 0.00 N ATOM 485 CA LEU A 35 -0.577 14.552 -5.160 1.00 0.00 C ATOM 486 C LEU A 35 -1.315 15.886 -5.210 1.00 0.00 C ATOM 487 O LEU A 35 -1.115 16.683 -6.125 1.00 0.00 O ATOM 488 CB LEU A 35 -1.562 13.421 -4.859 1.00 0.00 C ATOM 489 CG LEU A 35 -0.989 12.005 -4.889 1.00 0.00 C ATOM 490 CD1 LEU A 35 -1.969 11.019 -4.273 1.00 0.00 C ATOM 491 CD2 LEU A 35 -0.645 11.598 -6.315 1.00 0.00 C ATOM 0 H LEU A 35 0.382 13.881 -3.418 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.118 14.377 -6.133 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.994 13.595 -3.874 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.378 13.476 -5.579 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.073 11.992 -4.298 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.543 10.016 -4.303 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -2.165 11.299 -3.238 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.902 11.034 -4.836 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.238 10.587 -6.317 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.545 11.628 -6.929 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.095 12.287 -6.722 1.00 0.00 H new ATOM 503 N ILE A 36 -2.165 16.122 -4.217 1.00 0.00 N ATOM 504 CA ILE A 36 -2.931 17.361 -4.145 1.00 0.00 C ATOM 505 C ILE A 36 -2.956 17.910 -2.724 1.00 0.00 C ATOM 506 O ILE A 36 -2.307 17.372 -1.828 1.00 0.00 O ATOM 507 CB ILE A 36 -4.378 17.158 -4.632 1.00 0.00 C ATOM 508 CG1 ILE A 36 -5.095 16.130 -3.753 1.00 0.00 C ATOM 509 CG2 ILE A 36 -4.391 16.719 -6.088 1.00 0.00 C ATOM 510 CD1 ILE A 36 -6.584 16.370 -3.637 1.00 0.00 C ATOM 0 H ILE A 36 -2.341 15.472 -3.451 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.434 18.077 -4.799 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.908 18.107 -4.555 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.926 15.134 -4.161 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.654 16.145 -2.756 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.421 16.580 -6.417 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.914 17.482 -6.702 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.848 15.780 -6.190 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -7.027 15.605 -3.000 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -6.761 17.353 -3.200 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -7.038 16.326 -4.627 1.00 0.00 H new ATOM 522 N ASN A 37 -3.714 18.985 -2.524 1.00 0.00 N ATOM 523 CA ASN A 37 -3.825 19.606 -1.208 1.00 0.00 C ATOM 524 C ASN A 37 -4.175 18.572 -0.145 1.00 0.00 C ATOM 525 O ASN A 37 -3.575 18.540 0.929 1.00 0.00 O ATOM 526 CB ASN A 37 -4.884 20.710 -1.233 1.00 0.00 C ATOM 527 CG ASN A 37 -4.380 21.983 -1.883 1.00 0.00 C ATOM 528 OD1 ASN A 37 -3.897 21.965 -3.015 1.00 0.00 O ATOM 529 ND2 ASN A 37 -4.491 23.097 -1.168 1.00 0.00 N ATOM 0 H ASN A 37 -4.259 19.443 -3.255 1.00 0.00 H new ATOM 0 HA ASN A 37 -2.859 20.043 -0.956 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -5.762 20.354 -1.771 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -5.202 20.928 -0.213 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -4.169 23.985 -1.554 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -4.898 23.065 -0.233 1.00 0.00 H new ATOM 536 N GLY A 38 -5.154 17.724 -0.451 1.00 0.00 N ATOM 537 CA GLY A 38 -5.568 16.698 0.487 1.00 0.00 C ATOM 538 C GLY A 38 -6.246 15.527 -0.194 1.00 0.00 C ATOM 539 O GLY A 38 -7.446 15.567 -0.465 1.00 0.00 O ATOM 0 H GLY A 38 -5.667 17.730 -1.332 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.697 16.340 1.036 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -6.249 17.133 1.218 1.00 0.00 H new ATOM 543 N SER A 39 -5.475 14.480 -0.474 1.00 0.00 N ATOM 544 CA SER A 39 -6.008 13.295 -1.136 1.00 0.00 C ATOM 545 C SER A 39 -6.003 12.097 -0.189 1.00 0.00 C ATOM 546 O SER A 39 -5.286 12.085 0.812 1.00 0.00 O ATOM 547 CB SER A 39 -5.191 12.971 -2.387 1.00 0.00 C ATOM 548 OG SER A 39 -3.844 13.381 -2.237 1.00 0.00 O ATOM 0 H SER A 39 -4.481 14.429 -0.253 1.00 0.00 H new ATOM 0 HA SER A 39 -7.037 13.504 -1.428 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.228 11.899 -2.582 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.631 13.468 -3.251 1.00 0.00 H new ATOM 0 HG SER A 39 -3.321 12.649 -1.848 1.00 0.00 H new ATOM 554 N PHE A 40 -6.810 11.092 -0.512 1.00 0.00 N ATOM 555 CA PHE A 40 -6.900 9.889 0.308 1.00 0.00 C ATOM 556 C PHE A 40 -6.545 8.648 -0.504 1.00 0.00 C ATOM 557 O PHE A 40 -7.009 8.477 -1.632 1.00 0.00 O ATOM 558 CB PHE A 40 -8.309 9.747 0.888 1.00 0.00 C ATOM 559 CG PHE A 40 -9.252 8.993 -0.007 1.00 0.00 C ATOM 560 CD1 PHE A 40 -9.992 9.657 -0.972 1.00 0.00 C ATOM 561 CD2 PHE A 40 -9.398 7.621 0.118 1.00 0.00 C ATOM 562 CE1 PHE A 40 -10.862 8.966 -1.795 1.00 0.00 C ATOM 563 CE2 PHE A 40 -10.264 6.925 -0.702 1.00 0.00 C ATOM 564 CZ PHE A 40 -10.995 7.597 -1.661 1.00 0.00 C ATOM 0 H PHE A 40 -7.411 11.086 -1.336 1.00 0.00 H new ATOM 0 HA PHE A 40 -6.185 9.982 1.125 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -8.248 9.238 1.850 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -8.717 10.740 1.078 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -9.888 10.726 -1.083 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -8.828 7.090 0.866 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -11.436 9.495 -2.541 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -10.369 5.856 -0.593 1.00 0.00 H new ATOM 0 HZ PHE A 40 -11.670 7.054 -2.306 1.00 0.00 H new ATOM 574 N LEU A 41 -5.717 7.785 0.077 1.00 0.00 N ATOM 575 CA LEU A 41 -5.298 6.560 -0.593 1.00 0.00 C ATOM 576 C LEU A 41 -5.383 5.365 0.354 1.00 0.00 C ATOM 577 O LEU A 41 -5.243 5.513 1.568 1.00 0.00 O ATOM 578 CB LEU A 41 -3.870 6.706 -1.121 1.00 0.00 C ATOM 579 CG LEU A 41 -2.753 6.314 -0.153 1.00 0.00 C ATOM 580 CD1 LEU A 41 -2.593 4.803 -0.107 1.00 0.00 C ATOM 581 CD2 LEU A 41 -1.444 6.979 -0.552 1.00 0.00 C ATOM 0 H LEU A 41 -5.324 7.912 1.010 1.00 0.00 H new ATOM 0 HA LEU A 41 -5.972 6.385 -1.431 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.773 6.099 -2.021 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.718 7.744 -1.418 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.024 6.661 0.844 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.794 4.543 0.587 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.526 4.348 0.227 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.345 4.433 -1.102 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.660 6.689 0.148 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.167 6.663 -1.558 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.565 8.062 -0.532 1.00 0.00 H new ATOM 593 N VAL A 42 -5.610 4.184 -0.211 1.00 0.00 N ATOM 594 CA VAL A 42 -5.710 2.965 0.582 1.00 0.00 C ATOM 595 C VAL A 42 -4.524 2.043 0.322 1.00 0.00 C ATOM 596 O VAL A 42 -4.419 1.437 -0.746 1.00 0.00 O ATOM 597 CB VAL A 42 -7.015 2.204 0.280 1.00 0.00 C ATOM 598 CG1 VAL A 42 -7.087 0.922 1.096 1.00 0.00 C ATOM 599 CG2 VAL A 42 -8.222 3.089 0.554 1.00 0.00 C ATOM 0 H VAL A 42 -5.728 4.045 -1.215 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.709 3.267 1.629 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.023 1.934 -0.776 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -8.016 0.398 0.869 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.240 0.283 0.846 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -7.057 1.165 2.158 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -9.136 2.536 0.336 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -8.222 3.390 1.602 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.174 3.975 -0.079 1.00 0.00 H new ATOM 609 N ARG A 43 -3.635 1.937 1.304 1.00 0.00 N ATOM 610 CA ARG A 43 -2.457 1.089 1.181 1.00 0.00 C ATOM 611 C ARG A 43 -2.728 -0.304 1.744 1.00 0.00 C ATOM 612 O ARG A 43 -3.784 -0.552 2.326 1.00 0.00 O ATOM 613 CB ARG A 43 -1.270 1.721 1.910 1.00 0.00 C ATOM 614 CG ARG A 43 -1.495 1.905 3.400 1.00 0.00 C ATOM 615 CD ARG A 43 -0.378 2.714 4.039 1.00 0.00 C ATOM 616 NE ARG A 43 -0.265 2.458 5.472 1.00 0.00 N ATOM 617 CZ ARG A 43 0.078 1.280 5.982 1.00 0.00 C ATOM 618 NH1 ARG A 43 0.342 0.257 5.183 1.00 0.00 N ATOM 619 NH2 ARG A 43 0.159 1.126 7.298 1.00 0.00 N ATOM 0 H ARG A 43 -3.709 2.429 2.195 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.218 0.995 0.122 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -0.389 1.097 1.759 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.055 2.691 1.462 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.449 2.406 3.565 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.560 0.929 3.882 1.00 0.00 H new ATOM 0 HD2 ARG A 43 0.567 2.473 3.553 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -0.560 3.776 3.874 1.00 0.00 H new ATOM 0 HE ARG A 43 -0.460 3.225 6.116 1.00 0.00 H new ATOM 0 HH11 ARG A 43 0.282 0.372 4.171 1.00 0.00 H new ATOM 0 HH12 ARG A 43 0.605 -0.645 5.580 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -0.042 1.912 7.917 1.00 0.00 H new ATOM 0 HH22 ARG A 43 0.422 0.222 7.690 1.00 0.00 H new ATOM 633 N GLU A 44 -1.770 -1.206 1.564 1.00 0.00 N ATOM 634 CA GLU A 44 -1.906 -2.573 2.052 1.00 0.00 C ATOM 635 C GLU A 44 -0.684 -2.985 2.868 1.00 0.00 C ATOM 636 O GLU A 44 0.420 -3.100 2.336 1.00 0.00 O ATOM 637 CB GLU A 44 -2.103 -3.539 0.882 1.00 0.00 C ATOM 638 CG GLU A 44 -2.615 -4.907 1.301 1.00 0.00 C ATOM 639 CD GLU A 44 -2.758 -5.861 0.128 1.00 0.00 C ATOM 640 OE1 GLU A 44 -3.819 -6.510 0.020 1.00 0.00 O ATOM 641 OE2 GLU A 44 -1.809 -5.956 -0.678 1.00 0.00 O ATOM 0 H GLU A 44 -0.891 -1.015 1.084 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.782 -2.615 2.699 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.805 -3.099 0.173 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.155 -3.660 0.358 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.933 -5.338 2.034 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -3.581 -4.794 1.793 1.00 0.00 H new ATOM 649 N SER A 45 -0.890 -3.206 4.162 1.00 0.00 N ATOM 650 CA SER A 45 0.195 -3.601 5.052 1.00 0.00 C ATOM 651 C SER A 45 1.006 -4.741 4.446 1.00 0.00 C ATOM 652 O SER A 45 0.463 -5.607 3.760 1.00 0.00 O ATOM 653 CB SER A 45 -0.363 -4.023 6.413 1.00 0.00 C ATOM 654 OG SER A 45 -1.361 -5.018 6.270 1.00 0.00 O ATOM 0 H SER A 45 -1.798 -3.118 4.618 1.00 0.00 H new ATOM 0 HA SER A 45 0.853 -2.743 5.187 1.00 0.00 H new ATOM 0 HB2 SER A 45 0.445 -4.402 7.039 1.00 0.00 H new ATOM 0 HB3 SER A 45 -0.781 -3.155 6.923 1.00 0.00 H new ATOM 0 HG SER A 45 -1.700 -5.271 7.154 1.00 0.00 H new ATOM 660 N GLU A 46 2.310 -4.734 4.705 1.00 0.00 N ATOM 661 CA GLU A 46 3.198 -5.767 4.184 1.00 0.00 C ATOM 662 C GLU A 46 3.294 -6.941 5.155 1.00 0.00 C ATOM 663 O GLU A 46 2.708 -7.999 4.927 1.00 0.00 O ATOM 664 CB GLU A 46 4.590 -5.191 3.924 1.00 0.00 C ATOM 665 CG GLU A 46 4.701 -4.438 2.609 1.00 0.00 C ATOM 666 CD GLU A 46 4.862 -5.363 1.418 1.00 0.00 C ATOM 667 OE1 GLU A 46 6.008 -5.537 0.954 1.00 0.00 O ATOM 668 OE2 GLU A 46 3.844 -5.913 0.953 1.00 0.00 O ATOM 0 H GLU A 46 2.775 -4.025 5.272 1.00 0.00 H new ATOM 0 HA GLU A 46 2.782 -6.128 3.244 1.00 0.00 H new ATOM 0 HB2 GLU A 46 4.855 -4.520 4.741 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.317 -6.003 3.931 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.811 -3.824 2.470 1.00 0.00 H new ATOM 0 HG3 GLU A 46 5.552 -3.759 2.654 1.00 0.00 H new ATOM 676 N SER A 47 4.038 -6.745 6.239 1.00 0.00 N ATOM 677 CA SER A 47 4.216 -7.788 7.243 1.00 0.00 C ATOM 678 C SER A 47 3.002 -7.869 8.164 1.00 0.00 C ATOM 679 O SER A 47 3.106 -7.632 9.367 1.00 0.00 O ATOM 680 CB SER A 47 5.478 -7.523 8.066 1.00 0.00 C ATOM 681 OG SER A 47 5.976 -8.722 8.636 1.00 0.00 O ATOM 0 H SER A 47 4.527 -5.874 6.445 1.00 0.00 H new ATOM 0 HA SER A 47 4.322 -8.742 6.726 1.00 0.00 H new ATOM 0 HB2 SER A 47 6.242 -7.073 7.432 1.00 0.00 H new ATOM 0 HB3 SER A 47 5.257 -6.805 8.856 1.00 0.00 H new ATOM 0 HG SER A 47 6.783 -8.526 9.156 1.00 0.00 H new ATOM 687 N SER A 48 1.851 -8.203 7.588 1.00 0.00 N ATOM 688 CA SER A 48 0.617 -8.312 8.355 1.00 0.00 C ATOM 689 C SER A 48 -0.480 -8.976 7.528 1.00 0.00 C ATOM 690 O SER A 48 -0.398 -9.071 6.304 1.00 0.00 O ATOM 691 CB SER A 48 0.155 -6.927 8.816 1.00 0.00 C ATOM 692 OG SER A 48 0.653 -6.629 10.108 1.00 0.00 O ATOM 0 H SER A 48 1.748 -8.403 6.593 1.00 0.00 H new ATOM 0 HA SER A 48 0.815 -8.932 9.229 1.00 0.00 H new ATOM 0 HB2 SER A 48 0.496 -6.172 8.108 1.00 0.00 H new ATOM 0 HB3 SER A 48 -0.934 -6.887 8.824 1.00 0.00 H new ATOM 0 HG SER A 48 1.594 -6.897 10.166 1.00 0.00 H new ATOM 698 N PRO A 49 -1.532 -9.447 8.213 1.00 0.00 N ATOM 699 CA PRO A 49 -2.666 -10.112 7.564 1.00 0.00 C ATOM 700 C PRO A 49 -3.510 -9.145 6.740 1.00 0.00 C ATOM 701 O PRO A 49 -3.066 -8.049 6.404 1.00 0.00 O ATOM 702 CB PRO A 49 -3.477 -10.661 8.740 1.00 0.00 C ATOM 703 CG PRO A 49 -3.130 -9.776 9.887 1.00 0.00 C ATOM 704 CD PRO A 49 -1.697 -9.368 9.675 1.00 0.00 C ATOM 0 HA PRO A 49 -2.341 -10.877 6.859 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.546 -10.635 8.530 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -3.218 -11.699 8.949 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -3.784 -8.904 9.919 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.251 -10.300 10.835 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -1.507 -8.361 10.047 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -1.008 -10.035 10.194 1.00 0.00 H new ATOM 712 N GLY A 50 -4.733 -9.558 6.419 1.00 0.00 N ATOM 713 CA GLY A 50 -5.620 -8.717 5.638 1.00 0.00 C ATOM 714 C GLY A 50 -6.119 -7.518 6.420 1.00 0.00 C ATOM 715 O GLY A 50 -7.311 -7.408 6.705 1.00 0.00 O ATOM 0 H GLY A 50 -5.125 -10.461 6.687 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.097 -8.373 4.746 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -6.472 -9.307 5.301 1.00 0.00 H new ATOM 719 N GLN A 51 -5.205 -6.620 6.770 1.00 0.00 N ATOM 720 CA GLN A 51 -5.560 -5.424 7.527 1.00 0.00 C ATOM 721 C GLN A 51 -5.507 -4.184 6.641 1.00 0.00 C ATOM 722 O GLN A 51 -4.440 -3.611 6.420 1.00 0.00 O ATOM 723 CB GLN A 51 -4.619 -5.253 8.721 1.00 0.00 C ATOM 724 CG GLN A 51 -4.645 -6.425 9.688 1.00 0.00 C ATOM 725 CD GLN A 51 -5.787 -6.337 10.681 1.00 0.00 C ATOM 726 OE1 GLN A 51 -6.943 -6.152 10.301 1.00 0.00 O ATOM 727 NE2 GLN A 51 -5.469 -6.468 11.964 1.00 0.00 N ATOM 0 H GLN A 51 -4.214 -6.697 6.542 1.00 0.00 H new ATOM 0 HA GLN A 51 -6.580 -5.544 7.892 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -3.601 -5.117 8.355 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -4.888 -4.343 9.258 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -4.729 -7.354 9.125 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -3.700 -6.465 10.230 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -4.498 -6.620 12.236 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -6.196 -6.416 12.677 1.00 0.00 H new ATOM 736 N LEU A 52 -6.665 -3.774 6.135 1.00 0.00 N ATOM 737 CA LEU A 52 -6.753 -2.601 5.273 1.00 0.00 C ATOM 738 C LEU A 52 -6.871 -1.325 6.101 1.00 0.00 C ATOM 739 O LEU A 52 -7.294 -1.359 7.256 1.00 0.00 O ATOM 740 CB LEU A 52 -7.950 -2.723 4.330 1.00 0.00 C ATOM 741 CG LEU A 52 -7.728 -3.558 3.067 1.00 0.00 C ATOM 742 CD1 LEU A 52 -8.983 -3.577 2.211 1.00 0.00 C ATOM 743 CD2 LEU A 52 -6.547 -3.019 2.274 1.00 0.00 C ATOM 0 H LEU A 52 -7.557 -4.238 6.307 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.839 -2.546 4.682 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.782 -3.155 4.886 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.254 -1.720 4.030 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.503 -4.582 3.366 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.805 -4.176 1.318 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.805 -4.010 2.780 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.240 -2.559 1.920 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.403 -3.624 1.379 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -6.743 -1.986 1.986 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.647 -3.060 2.888 1.00 0.00 H new ATOM 755 N SER A 53 -6.497 -0.200 5.500 1.00 0.00 N ATOM 756 CA SER A 53 -6.560 1.088 6.180 1.00 0.00 C ATOM 757 C SER A 53 -6.739 2.224 5.178 1.00 0.00 C ATOM 758 O SER A 53 -6.314 2.125 4.028 1.00 0.00 O ATOM 759 CB SER A 53 -5.291 1.316 7.004 1.00 0.00 C ATOM 760 OG SER A 53 -5.112 0.285 7.959 1.00 0.00 O ATOM 0 H SER A 53 -6.147 -0.155 4.543 1.00 0.00 H new ATOM 0 HA SER A 53 -7.422 1.076 6.847 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.426 1.357 6.342 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.351 2.279 7.511 1.00 0.00 H new ATOM 0 HG SER A 53 -4.294 0.452 8.472 1.00 0.00 H new ATOM 766 N ILE A 54 -7.374 3.303 5.624 1.00 0.00 N ATOM 767 CA ILE A 54 -7.609 4.459 4.769 1.00 0.00 C ATOM 768 C ILE A 54 -6.792 5.661 5.229 1.00 0.00 C ATOM 769 O ILE A 54 -7.173 6.362 6.167 1.00 0.00 O ATOM 770 CB ILE A 54 -9.100 4.846 4.743 1.00 0.00 C ATOM 771 CG1 ILE A 54 -9.926 3.737 4.091 1.00 0.00 C ATOM 772 CG2 ILE A 54 -9.293 6.163 4.005 1.00 0.00 C ATOM 773 CD1 ILE A 54 -11.371 3.715 4.540 1.00 0.00 C ATOM 0 H ILE A 54 -7.735 3.400 6.573 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.297 4.175 3.764 1.00 0.00 H new ATOM 0 HB ILE A 54 -9.445 4.974 5.769 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -9.892 3.859 3.008 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -9.469 2.774 4.318 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -10.352 6.423 3.995 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.731 6.949 4.510 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -8.935 6.062 2.981 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -11.896 2.903 4.037 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -11.415 3.562 5.618 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -11.845 4.664 4.289 1.00 0.00 H new ATOM 785 N SER A 55 -5.666 5.893 4.562 1.00 0.00 N ATOM 786 CA SER A 55 -4.792 7.010 4.904 1.00 0.00 C ATOM 787 C SER A 55 -5.162 8.254 4.104 1.00 0.00 C ATOM 788 O SER A 55 -4.852 8.358 2.916 1.00 0.00 O ATOM 789 CB SER A 55 -3.330 6.639 4.645 1.00 0.00 C ATOM 790 OG SER A 55 -2.968 5.469 5.357 1.00 0.00 O ATOM 0 H SER A 55 -5.337 5.323 3.782 1.00 0.00 H new ATOM 0 HA SER A 55 -4.922 7.229 5.964 1.00 0.00 H new ATOM 0 HB2 SER A 55 -3.175 6.482 3.578 1.00 0.00 H new ATOM 0 HB3 SER A 55 -2.684 7.465 4.943 1.00 0.00 H new ATOM 0 HG SER A 55 -2.030 5.252 5.174 1.00 0.00 H new ATOM 796 N LEU A 56 -5.826 9.198 4.763 1.00 0.00 N ATOM 797 CA LEU A 56 -6.239 10.438 4.114 1.00 0.00 C ATOM 798 C LEU A 56 -5.542 11.640 4.743 1.00 0.00 C ATOM 799 O LEU A 56 -5.428 11.734 5.966 1.00 0.00 O ATOM 800 CB LEU A 56 -7.756 10.605 4.212 1.00 0.00 C ATOM 801 CG LEU A 56 -8.270 11.381 5.424 1.00 0.00 C ATOM 802 CD1 LEU A 56 -8.096 12.877 5.214 1.00 0.00 C ATOM 803 CD2 LEU A 56 -9.730 11.045 5.693 1.00 0.00 C ATOM 0 H LEU A 56 -6.090 9.128 5.746 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.952 10.384 3.064 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.105 11.107 3.310 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.210 9.614 4.221 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.684 11.087 6.294 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.468 13.413 6.087 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.039 13.104 5.072 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.656 13.188 4.332 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -10.079 11.607 6.559 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -10.331 11.310 4.823 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -9.827 9.977 5.890 1.00 0.00 H new ATOM 815 N ARG A 57 -5.080 12.558 3.899 1.00 0.00 N ATOM 816 CA ARG A 57 -4.396 13.754 4.373 1.00 0.00 C ATOM 817 C ARG A 57 -5.354 14.940 4.436 1.00 0.00 C ATOM 818 O ARG A 57 -5.864 15.395 3.413 1.00 0.00 O ATOM 819 CB ARG A 57 -3.215 14.089 3.458 1.00 0.00 C ATOM 820 CG ARG A 57 -2.082 14.812 4.166 1.00 0.00 C ATOM 821 CD ARG A 57 -2.343 16.308 4.248 1.00 0.00 C ATOM 822 NE ARG A 57 -1.105 17.076 4.356 1.00 0.00 N ATOM 823 CZ ARG A 57 -1.007 18.362 4.040 1.00 0.00 C ATOM 824 NH1 ARG A 57 -2.069 19.023 3.601 1.00 0.00 N ATOM 825 NH2 ARG A 57 0.155 18.990 4.163 1.00 0.00 N ATOM 0 H ARG A 57 -5.167 12.496 2.885 1.00 0.00 H new ATOM 0 HA ARG A 57 -4.024 13.554 5.378 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -2.830 13.167 3.023 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -3.569 14.707 2.633 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -1.961 14.407 5.171 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -1.147 14.633 3.636 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -2.892 16.629 3.363 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -2.976 16.519 5.110 1.00 0.00 H new ATOM 0 HE ARG A 57 -0.269 16.598 4.693 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -2.964 18.544 3.505 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -1.991 20.011 3.359 1.00 0.00 H new ATOM 0 HH21 ARG A 57 0.974 18.485 4.501 1.00 0.00 H new ATOM 0 HH22 ARG A 57 0.229 19.978 3.920 1.00 0.00 H new ATOM 839 N TYR A 58 -5.595 15.434 5.645 1.00 0.00 N ATOM 840 CA TYR A 58 -6.496 16.564 5.844 1.00 0.00 C ATOM 841 C TYR A 58 -6.038 17.424 7.018 1.00 0.00 C ATOM 842 O TYR A 58 -5.587 16.910 8.039 1.00 0.00 O ATOM 843 CB TYR A 58 -7.924 16.069 6.086 1.00 0.00 C ATOM 844 CG TYR A 58 -8.954 17.176 6.092 1.00 0.00 C ATOM 845 CD1 TYR A 58 -9.130 17.994 4.982 1.00 0.00 C ATOM 846 CD2 TYR A 58 -9.752 17.404 7.206 1.00 0.00 C ATOM 847 CE1 TYR A 58 -10.070 19.006 4.982 1.00 0.00 C ATOM 848 CE2 TYR A 58 -10.695 18.414 7.215 1.00 0.00 C ATOM 849 CZ TYR A 58 -10.850 19.211 6.100 1.00 0.00 C ATOM 850 OH TYR A 58 -11.788 20.219 6.105 1.00 0.00 O ATOM 0 H TYR A 58 -5.179 15.070 6.502 1.00 0.00 H new ATOM 0 HA TYR A 58 -6.479 17.174 4.941 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -8.185 15.345 5.314 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -7.961 15.544 7.041 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -8.521 17.835 4.104 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.633 16.781 8.080 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -10.193 19.633 4.111 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -11.307 18.578 8.090 1.00 0.00 H new ATOM 0 HH TYR A 58 -12.253 20.229 6.967 1.00 0.00 H new ATOM 860 N GLU A 59 -6.161 18.740 6.862 1.00 0.00 N ATOM 861 CA GLU A 59 -5.761 19.673 7.908 1.00 0.00 C ATOM 862 C GLU A 59 -4.280 19.516 8.239 1.00 0.00 C ATOM 863 O GLU A 59 -3.894 19.474 9.407 1.00 0.00 O ATOM 864 CB GLU A 59 -6.603 19.455 9.166 1.00 0.00 C ATOM 865 CG GLU A 59 -7.924 20.203 9.152 1.00 0.00 C ATOM 866 CD GLU A 59 -7.803 21.612 9.701 1.00 0.00 C ATOM 867 OE1 GLU A 59 -8.746 22.066 10.382 1.00 0.00 O ATOM 868 OE2 GLU A 59 -6.766 22.261 9.448 1.00 0.00 O ATOM 0 H GLU A 59 -6.534 19.182 6.022 1.00 0.00 H new ATOM 0 HA GLU A 59 -5.928 20.685 7.540 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -6.800 18.389 9.281 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -6.027 19.768 10.037 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -8.302 20.246 8.130 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -8.657 19.650 9.740 1.00 0.00 H new ATOM 876 N GLY A 60 -3.453 19.427 7.202 1.00 0.00 N ATOM 877 CA GLY A 60 -2.023 19.274 7.403 1.00 0.00 C ATOM 878 C GLY A 60 -1.685 18.075 8.264 1.00 0.00 C ATOM 879 O GLY A 60 -0.770 18.132 9.087 1.00 0.00 O ATOM 0 H GLY A 60 -3.747 19.458 6.226 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -1.532 19.173 6.435 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -1.626 20.176 7.869 1.00 0.00 H new ATOM 883 N ARG A 61 -2.424 16.986 8.078 1.00 0.00 N ATOM 884 CA ARG A 61 -2.199 15.768 8.849 1.00 0.00 C ATOM 885 C ARG A 61 -2.697 14.544 8.087 1.00 0.00 C ATOM 886 O ARG A 61 -3.634 14.633 7.293 1.00 0.00 O ATOM 887 CB ARG A 61 -2.899 15.859 10.205 1.00 0.00 C ATOM 888 CG ARG A 61 -2.194 16.773 11.195 1.00 0.00 C ATOM 889 CD ARG A 61 -2.559 16.427 12.630 1.00 0.00 C ATOM 890 NE ARG A 61 -3.761 17.130 13.072 1.00 0.00 N ATOM 891 CZ ARG A 61 -3.801 18.435 13.315 1.00 0.00 C ATOM 892 NH1 ARG A 61 -2.713 19.176 13.157 1.00 0.00 N ATOM 893 NH2 ARG A 61 -4.932 19.002 13.715 1.00 0.00 N ATOM 0 H ARG A 61 -3.184 16.922 7.400 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.126 15.663 9.010 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.918 16.217 10.055 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.972 14.860 10.634 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -1.115 16.691 11.063 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -2.462 17.809 10.990 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -2.715 15.352 12.715 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.728 16.681 13.287 1.00 0.00 H new ATOM 0 HE ARG A 61 -4.616 16.589 13.201 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -1.842 18.744 12.848 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -2.747 20.178 13.344 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -5.772 18.435 13.836 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -4.962 20.004 13.901 1.00 0.00 H new ATOM 907 N VAL A 62 -2.066 13.401 8.336 1.00 0.00 N ATOM 908 CA VAL A 62 -2.446 12.158 7.676 1.00 0.00 C ATOM 909 C VAL A 62 -3.147 11.213 8.644 1.00 0.00 C ATOM 910 O VAL A 62 -2.497 10.487 9.398 1.00 0.00 O ATOM 911 CB VAL A 62 -1.222 11.444 7.073 1.00 0.00 C ATOM 912 CG1 VAL A 62 -1.547 9.991 6.766 1.00 0.00 C ATOM 913 CG2 VAL A 62 -0.744 12.168 5.824 1.00 0.00 C ATOM 0 H VAL A 62 -1.289 13.310 8.990 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.133 12.425 6.873 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.416 11.463 7.806 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.670 9.504 6.341 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.836 9.481 7.685 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.369 9.945 6.052 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.121 11.649 5.412 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.544 12.184 5.084 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -0.466 13.190 6.080 1.00 0.00 H new ATOM 923 N TYR A 63 -4.475 11.226 8.618 1.00 0.00 N ATOM 924 CA TYR A 63 -5.265 10.371 9.496 1.00 0.00 C ATOM 925 C TYR A 63 -5.340 8.949 8.948 1.00 0.00 C ATOM 926 O TYR A 63 -5.063 8.708 7.773 1.00 0.00 O ATOM 927 CB TYR A 63 -6.674 10.940 9.665 1.00 0.00 C ATOM 928 CG TYR A 63 -6.696 12.376 10.132 1.00 0.00 C ATOM 929 CD1 TYR A 63 -6.246 12.723 11.401 1.00 0.00 C ATOM 930 CD2 TYR A 63 -7.165 13.390 9.305 1.00 0.00 C ATOM 931 CE1 TYR A 63 -6.264 14.034 11.833 1.00 0.00 C ATOM 932 CE2 TYR A 63 -7.184 14.706 9.728 1.00 0.00 C ATOM 933 CZ TYR A 63 -6.734 15.023 10.992 1.00 0.00 C ATOM 934 OH TYR A 63 -6.754 16.331 11.417 1.00 0.00 O ATOM 0 H TYR A 63 -5.027 11.819 7.998 1.00 0.00 H new ATOM 0 HA TYR A 63 -4.775 10.341 10.469 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -7.202 10.868 8.714 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -7.221 10.326 10.380 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -5.876 11.953 12.061 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -7.521 13.146 8.315 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -5.913 14.285 12.823 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -7.550 15.482 9.072 1.00 0.00 H new ATOM 0 HH TYR A 63 -6.405 16.383 12.331 1.00 0.00 H new ATOM 944 N HIS A 64 -5.719 8.008 9.809 1.00 0.00 N ATOM 945 CA HIS A 64 -5.831 6.609 9.412 1.00 0.00 C ATOM 946 C HIS A 64 -7.145 6.010 9.906 1.00 0.00 C ATOM 947 O HIS A 64 -7.862 6.627 10.694 1.00 0.00 O ATOM 948 CB HIS A 64 -4.652 5.806 9.960 1.00 0.00 C ATOM 949 CG HIS A 64 -4.457 5.957 11.437 1.00 0.00 C ATOM 950 ND1 HIS A 64 -3.224 6.168 12.014 1.00 0.00 N ATOM 951 CD2 HIS A 64 -5.348 5.931 12.455 1.00 0.00 C ATOM 952 CE1 HIS A 64 -3.363 6.261 13.325 1.00 0.00 C ATOM 953 NE2 HIS A 64 -4.644 6.122 13.618 1.00 0.00 N ATOM 0 H HIS A 64 -5.953 8.190 10.785 1.00 0.00 H new ATOM 0 HA HIS A 64 -5.817 6.562 8.323 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -4.802 4.752 9.728 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -3.742 6.118 9.448 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -6.415 5.787 12.369 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -2.566 6.423 14.035 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -5.045 6.152 14.556 1.00 0.00 H new ATOM 962 N TYR A 65 -7.452 4.805 9.437 1.00 0.00 N ATOM 963 CA TYR A 65 -8.681 4.124 9.828 1.00 0.00 C ATOM 964 C TYR A 65 -8.583 2.626 9.556 1.00 0.00 C ATOM 965 O TYR A 65 -8.574 2.193 8.404 1.00 0.00 O ATOM 966 CB TYR A 65 -9.877 4.713 9.079 1.00 0.00 C ATOM 967 CG TYR A 65 -10.031 6.206 9.262 1.00 0.00 C ATOM 968 CD1 TYR A 65 -9.409 7.101 8.398 1.00 0.00 C ATOM 969 CD2 TYR A 65 -10.798 6.723 10.298 1.00 0.00 C ATOM 970 CE1 TYR A 65 -9.548 8.465 8.563 1.00 0.00 C ATOM 971 CE2 TYR A 65 -10.942 8.086 10.470 1.00 0.00 C ATOM 972 CZ TYR A 65 -10.315 8.953 9.599 1.00 0.00 C ATOM 973 OH TYR A 65 -10.456 10.312 9.766 1.00 0.00 O ATOM 0 H TYR A 65 -6.867 4.280 8.786 1.00 0.00 H new ATOM 0 HA TYR A 65 -8.824 4.272 10.898 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -9.773 4.495 8.016 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -10.787 4.218 9.418 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -8.807 6.723 7.585 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -11.291 6.047 10.981 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -9.058 9.146 7.883 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -11.542 8.471 11.282 1.00 0.00 H new ATOM 0 HH TYR A 65 -10.600 10.512 10.715 1.00 0.00 H new ATOM 983 N ARG A 66 -8.511 1.841 10.626 1.00 0.00 N ATOM 984 CA ARG A 66 -8.413 0.391 10.504 1.00 0.00 C ATOM 985 C ARG A 66 -9.746 -0.208 10.065 1.00 0.00 C ATOM 986 O ARG A 66 -10.733 -0.155 10.798 1.00 0.00 O ATOM 987 CB ARG A 66 -7.978 -0.225 11.835 1.00 0.00 C ATOM 988 CG ARG A 66 -7.179 -1.510 11.680 1.00 0.00 C ATOM 989 CD ARG A 66 -8.087 -2.705 11.435 1.00 0.00 C ATOM 990 NE ARG A 66 -8.712 -3.176 12.668 1.00 0.00 N ATOM 991 CZ ARG A 66 -8.069 -3.869 13.601 1.00 0.00 C ATOM 992 NH1 ARG A 66 -6.787 -4.167 13.443 1.00 0.00 N ATOM 993 NH2 ARG A 66 -8.707 -4.263 14.696 1.00 0.00 N ATOM 0 H ARG A 66 -8.519 2.184 11.586 1.00 0.00 H new ATOM 0 HA ARG A 66 -7.665 0.164 9.745 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -7.378 0.502 12.383 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -8.863 -0.428 12.438 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.480 -1.407 10.850 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -6.585 -1.681 12.578 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -8.861 -2.432 10.717 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -7.509 -3.514 10.989 1.00 0.00 H new ATOM 0 HE ARG A 66 -9.697 -2.961 12.821 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -6.293 -3.864 12.604 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -6.295 -4.699 14.161 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -9.693 -4.034 14.822 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -8.211 -4.795 15.411 1.00 0.00 H new ATOM 1007 N ILE A 67 -9.765 -0.777 8.863 1.00 0.00 N ATOM 1008 CA ILE A 67 -10.976 -1.387 8.327 1.00 0.00 C ATOM 1009 C ILE A 67 -11.302 -2.689 9.052 1.00 0.00 C ATOM 1010 O ILE A 67 -10.508 -3.627 9.051 1.00 0.00 O ATOM 1011 CB ILE A 67 -10.842 -1.670 6.819 1.00 0.00 C ATOM 1012 CG1 ILE A 67 -10.626 -0.365 6.050 1.00 0.00 C ATOM 1013 CG2 ILE A 67 -12.077 -2.396 6.306 1.00 0.00 C ATOM 1014 CD1 ILE A 67 -10.521 -0.556 4.554 1.00 0.00 C ATOM 0 H ILE A 67 -8.957 -0.828 8.243 1.00 0.00 H new ATOM 0 HA ILE A 67 -11.786 -0.675 8.484 1.00 0.00 H new ATOM 0 HB ILE A 67 -9.975 -2.311 6.659 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -11.451 0.314 6.264 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -9.716 0.114 6.412 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -11.968 -2.589 5.239 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -12.190 -3.341 6.837 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -12.959 -1.778 6.475 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -10.369 0.410 4.074 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -9.678 -1.210 4.329 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -11.440 -1.006 4.179 1.00 0.00 H new ATOM 1026 N ASN A 68 -12.480 -2.737 9.665 1.00 0.00 N ATOM 1027 CA ASN A 68 -12.914 -3.925 10.393 1.00 0.00 C ATOM 1028 C ASN A 68 -13.512 -4.957 9.442 1.00 0.00 C ATOM 1029 O ASN A 68 -13.714 -4.684 8.258 1.00 0.00 O ATOM 1030 CB ASN A 68 -13.941 -3.546 11.463 1.00 0.00 C ATOM 1031 CG ASN A 68 -13.401 -2.526 12.445 1.00 0.00 C ATOM 1032 OD1 ASN A 68 -12.269 -2.638 12.917 1.00 0.00 O ATOM 1033 ND2 ASN A 68 -14.211 -1.521 12.757 1.00 0.00 N ATOM 0 H ASN A 68 -13.151 -1.969 9.673 1.00 0.00 H new ATOM 0 HA ASN A 68 -12.041 -4.364 10.876 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -14.833 -3.146 10.981 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -14.246 -4.442 12.004 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -13.903 -0.802 13.412 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -15.141 -1.468 12.342 1.00 0.00 H new ATOM 1040 N THR A 69 -13.792 -6.145 9.966 1.00 0.00 N ATOM 1041 CA THR A 69 -14.366 -7.218 9.165 1.00 0.00 C ATOM 1042 C THR A 69 -15.245 -8.131 10.015 1.00 0.00 C ATOM 1043 O THR A 69 -14.874 -8.506 11.128 1.00 0.00 O ATOM 1044 CB THR A 69 -13.270 -8.064 8.489 1.00 0.00 C ATOM 1045 OG1 THR A 69 -12.300 -7.208 7.874 1.00 0.00 O ATOM 1046 CG2 THR A 69 -13.870 -8.994 7.445 1.00 0.00 C ATOM 0 H THR A 69 -13.630 -6.389 10.943 1.00 0.00 H new ATOM 0 HA THR A 69 -14.976 -6.745 8.395 1.00 0.00 H new ATOM 0 HB THR A 69 -12.785 -8.670 9.255 1.00 0.00 H new ATOM 0 HG1 THR A 69 -11.606 -7.753 7.448 1.00 0.00 H new ATOM 0 HG21 THR A 69 -13.077 -9.581 6.982 1.00 0.00 H new ATOM 0 HG22 THR A 69 -14.585 -9.664 7.922 1.00 0.00 H new ATOM 0 HG23 THR A 69 -14.378 -8.405 6.682 1.00 0.00 H new ATOM 1054 N THR A 70 -16.410 -8.487 9.483 1.00 0.00 N ATOM 1055 CA THR A 70 -17.340 -9.356 10.193 1.00 0.00 C ATOM 1056 C THR A 70 -17.132 -10.816 9.809 1.00 0.00 C ATOM 1057 O THR A 70 -16.307 -11.130 8.951 1.00 0.00 O ATOM 1058 CB THR A 70 -18.803 -8.965 9.906 1.00 0.00 C ATOM 1059 OG1 THR A 70 -19.058 -9.021 8.499 1.00 0.00 O ATOM 1060 CG2 THR A 70 -19.101 -7.566 10.426 1.00 0.00 C ATOM 0 H THR A 70 -16.732 -8.187 8.563 1.00 0.00 H new ATOM 0 HA THR A 70 -17.139 -9.232 11.257 1.00 0.00 H new ATOM 0 HB THR A 70 -19.453 -9.673 10.421 1.00 0.00 H new ATOM 0 HG1 THR A 70 -19.990 -8.773 8.325 1.00 0.00 H new ATOM 0 HG21 THR A 70 -20.139 -7.312 10.212 1.00 0.00 H new ATOM 0 HG22 THR A 70 -18.934 -7.535 11.503 1.00 0.00 H new ATOM 0 HG23 THR A 70 -18.443 -6.848 9.936 1.00 0.00 H new ATOM 1068 N ALA A 71 -17.884 -11.704 10.450 1.00 0.00 N ATOM 1069 CA ALA A 71 -17.782 -13.132 10.172 1.00 0.00 C ATOM 1070 C ALA A 71 -17.793 -13.402 8.672 1.00 0.00 C ATOM 1071 O ALA A 71 -16.887 -14.042 8.141 1.00 0.00 O ATOM 1072 CB ALA A 71 -18.918 -13.884 10.854 1.00 0.00 C ATOM 0 H ALA A 71 -18.570 -11.461 11.165 1.00 0.00 H new ATOM 0 HA ALA A 71 -16.832 -13.488 10.571 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -18.830 -14.949 10.639 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -18.864 -13.726 11.931 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -19.874 -13.516 10.481 1.00 0.00 H new ATOM 1078 N ASP A 72 -18.826 -12.911 7.995 1.00 0.00 N ATOM 1079 CA ASP A 72 -18.954 -13.100 6.554 1.00 0.00 C ATOM 1080 C ASP A 72 -17.817 -12.405 5.812 1.00 0.00 C ATOM 1081 O ASP A 72 -17.044 -13.045 5.100 1.00 0.00 O ATOM 1082 CB ASP A 72 -20.300 -12.564 6.067 1.00 0.00 C ATOM 1083 CG ASP A 72 -21.460 -13.454 6.473 1.00 0.00 C ATOM 1084 OD1 ASP A 72 -22.464 -12.921 6.991 1.00 0.00 O ATOM 1085 OD2 ASP A 72 -21.362 -14.682 6.271 1.00 0.00 O ATOM 0 H ASP A 72 -19.586 -12.380 8.420 1.00 0.00 H new ATOM 0 HA ASP A 72 -18.900 -14.169 6.346 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -20.456 -11.563 6.469 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -20.280 -12.472 4.981 1.00 0.00 H new ATOM 1091 N GLY A 73 -17.721 -11.090 5.982 1.00 0.00 N ATOM 1092 CA GLY A 73 -16.677 -10.330 5.320 1.00 0.00 C ATOM 1093 C GLY A 73 -17.126 -8.932 4.945 1.00 0.00 C ATOM 1094 O GLY A 73 -16.856 -8.460 3.841 1.00 0.00 O ATOM 0 H GLY A 73 -18.348 -10.537 6.567 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -15.808 -10.266 5.975 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -16.360 -10.860 4.422 1.00 0.00 H new ATOM 1098 N LYS A 74 -17.817 -8.267 5.866 1.00 0.00 N ATOM 1099 CA LYS A 74 -18.307 -6.915 5.626 1.00 0.00 C ATOM 1100 C LYS A 74 -17.356 -5.879 6.218 1.00 0.00 C ATOM 1101 O LYS A 74 -17.074 -5.894 7.417 1.00 0.00 O ATOM 1102 CB LYS A 74 -19.703 -6.742 6.225 1.00 0.00 C ATOM 1103 CG LYS A 74 -20.718 -7.743 5.700 1.00 0.00 C ATOM 1104 CD LYS A 74 -21.366 -7.258 4.414 1.00 0.00 C ATOM 1105 CE LYS A 74 -22.397 -8.252 3.900 1.00 0.00 C ATOM 1106 NZ LYS A 74 -21.758 -9.472 3.333 1.00 0.00 N ATOM 0 H LYS A 74 -18.050 -8.643 6.785 1.00 0.00 H new ATOM 0 HA LYS A 74 -18.360 -6.761 4.548 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -19.639 -6.837 7.309 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -20.057 -5.733 6.014 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -20.228 -8.700 5.523 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -21.486 -7.913 6.454 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -21.844 -6.294 4.587 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -20.599 -7.102 3.655 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -23.064 -8.536 4.714 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -23.011 -7.775 3.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -22.493 -10.116 2.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -21.128 -9.202 2.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -21.206 -9.951 4.073 1.00 0.00 H new ATOM 1120 N VAL A 75 -16.866 -4.979 5.371 1.00 0.00 N ATOM 1121 CA VAL A 75 -15.949 -3.935 5.812 1.00 0.00 C ATOM 1122 C VAL A 75 -16.701 -2.656 6.162 1.00 0.00 C ATOM 1123 O VAL A 75 -17.570 -2.210 5.412 1.00 0.00 O ATOM 1124 CB VAL A 75 -14.896 -3.619 4.733 1.00 0.00 C ATOM 1125 CG1 VAL A 75 -13.813 -4.688 4.715 1.00 0.00 C ATOM 1126 CG2 VAL A 75 -15.555 -3.493 3.367 1.00 0.00 C ATOM 0 H VAL A 75 -17.089 -4.952 4.376 1.00 0.00 H new ATOM 0 HA VAL A 75 -15.444 -4.312 6.701 1.00 0.00 H new ATOM 0 HB VAL A 75 -14.428 -2.665 4.975 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -13.078 -4.448 3.947 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -13.322 -4.725 5.688 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -14.262 -5.657 4.498 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -14.797 -3.270 2.616 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -16.051 -4.430 3.114 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -16.290 -2.689 3.391 1.00 0.00 H new ATOM 1136 N TYR A 76 -16.359 -2.069 7.304 1.00 0.00 N ATOM 1137 CA TYR A 76 -17.004 -0.842 7.755 1.00 0.00 C ATOM 1138 C TYR A 76 -16.250 -0.231 8.932 1.00 0.00 C ATOM 1139 O TYR A 76 -16.105 -0.857 9.983 1.00 0.00 O ATOM 1140 CB TYR A 76 -18.455 -1.118 8.151 1.00 0.00 C ATOM 1141 CG TYR A 76 -18.599 -1.762 9.512 1.00 0.00 C ATOM 1142 CD1 TYR A 76 -18.298 -3.105 9.701 1.00 0.00 C ATOM 1143 CD2 TYR A 76 -19.035 -1.027 10.607 1.00 0.00 C ATOM 1144 CE1 TYR A 76 -18.429 -3.698 10.942 1.00 0.00 C ATOM 1145 CE2 TYR A 76 -19.167 -1.610 11.852 1.00 0.00 C ATOM 1146 CZ TYR A 76 -18.863 -2.946 12.015 1.00 0.00 C ATOM 1147 OH TYR A 76 -18.994 -3.532 13.253 1.00 0.00 O ATOM 0 H TYR A 76 -15.639 -2.423 7.934 1.00 0.00 H new ATOM 0 HA TYR A 76 -16.990 -0.130 6.930 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -19.010 -0.180 8.142 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -18.910 -1.766 7.402 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -17.956 -3.695 8.864 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -19.275 0.019 10.483 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -18.193 -4.744 11.072 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -19.506 -1.024 12.693 1.00 0.00 H new ATOM 0 HH TYR A 76 -19.308 -2.865 13.899 1.00 0.00 H new ATOM 1157 N VAL A 77 -15.771 0.995 8.748 1.00 0.00 N ATOM 1158 CA VAL A 77 -15.034 1.693 9.796 1.00 0.00 C ATOM 1159 C VAL A 77 -15.933 2.671 10.542 1.00 0.00 C ATOM 1160 O VAL A 77 -15.864 3.883 10.328 1.00 0.00 O ATOM 1161 CB VAL A 77 -13.827 2.458 9.219 1.00 0.00 C ATOM 1162 CG1 VAL A 77 -12.836 1.492 8.585 1.00 0.00 C ATOM 1163 CG2 VAL A 77 -14.291 3.497 8.209 1.00 0.00 C ATOM 0 H VAL A 77 -15.880 1.526 7.884 1.00 0.00 H new ATOM 0 HA VAL A 77 -14.675 0.933 10.490 1.00 0.00 H new ATOM 0 HB VAL A 77 -13.322 2.976 10.035 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -11.990 2.050 8.183 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -12.481 0.788 9.338 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -13.326 0.945 7.779 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -13.427 4.029 7.811 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -14.819 3.002 7.394 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -14.960 4.206 8.697 1.00 0.00 H new ATOM 1173 N THR A 78 -16.776 2.140 11.422 1.00 0.00 N ATOM 1174 CA THR A 78 -17.690 2.966 12.201 1.00 0.00 C ATOM 1175 C THR A 78 -18.456 2.129 13.218 1.00 0.00 C ATOM 1176 O THR A 78 -18.382 0.901 13.207 1.00 0.00 O ATOM 1177 CB THR A 78 -18.695 3.700 11.294 1.00 0.00 C ATOM 1178 OG1 THR A 78 -19.850 4.080 12.050 1.00 0.00 O ATOM 1179 CG2 THR A 78 -19.114 2.819 10.127 1.00 0.00 C ATOM 0 H THR A 78 -16.845 1.140 11.613 1.00 0.00 H new ATOM 0 HA THR A 78 -17.082 3.702 12.726 1.00 0.00 H new ATOM 0 HB THR A 78 -18.210 4.593 10.899 1.00 0.00 H new ATOM 0 HG1 THR A 78 -20.483 4.548 11.467 1.00 0.00 H new ATOM 0 HG21 THR A 78 -19.824 3.359 9.500 1.00 0.00 H new ATOM 0 HG22 THR A 78 -18.236 2.555 9.537 1.00 0.00 H new ATOM 0 HG23 THR A 78 -19.582 1.911 10.507 1.00 0.00 H new ATOM 1187 N ALA A 79 -19.194 2.802 14.095 1.00 0.00 N ATOM 1188 CA ALA A 79 -19.978 2.120 15.118 1.00 0.00 C ATOM 1189 C ALA A 79 -21.441 2.544 15.062 1.00 0.00 C ATOM 1190 O ALA A 79 -22.140 2.527 16.076 1.00 0.00 O ATOM 1191 CB ALA A 79 -19.397 2.392 16.498 1.00 0.00 C ATOM 0 H ALA A 79 -19.265 3.819 14.118 1.00 0.00 H new ATOM 0 HA ALA A 79 -19.931 1.049 14.923 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -19.992 1.877 17.252 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -18.369 2.031 16.538 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -19.412 3.464 16.694 1.00 0.00 H new ATOM 1197 N GLU A 80 -21.898 2.925 13.875 1.00 0.00 N ATOM 1198 CA GLU A 80 -23.278 3.356 13.689 1.00 0.00 C ATOM 1199 C GLU A 80 -23.914 2.651 12.495 1.00 0.00 C ATOM 1200 O GLU A 80 -25.108 2.353 12.499 1.00 0.00 O ATOM 1201 CB GLU A 80 -23.341 4.872 13.492 1.00 0.00 C ATOM 1202 CG GLU A 80 -22.710 5.660 14.628 1.00 0.00 C ATOM 1203 CD GLU A 80 -22.977 7.148 14.524 1.00 0.00 C ATOM 1204 OE1 GLU A 80 -22.032 7.937 14.737 1.00 0.00 O ATOM 1205 OE2 GLU A 80 -24.131 7.526 14.232 1.00 0.00 O ATOM 0 H GLU A 80 -21.332 2.944 13.026 1.00 0.00 H new ATOM 0 HA GLU A 80 -23.837 3.089 14.586 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -22.839 5.130 12.559 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -24.383 5.173 13.387 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -23.095 5.291 15.579 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -21.634 5.487 14.631 1.00 0.00 H new ATOM 1213 N SER A 81 -23.106 2.386 11.474 1.00 0.00 N ATOM 1214 CA SER A 81 -23.588 1.721 10.270 1.00 0.00 C ATOM 1215 C SER A 81 -22.554 0.729 9.744 1.00 0.00 C ATOM 1216 O SER A 81 -21.455 0.619 10.286 1.00 0.00 O ATOM 1217 CB SER A 81 -23.920 2.750 9.188 1.00 0.00 C ATOM 1218 OG SER A 81 -25.101 3.465 9.509 1.00 0.00 O ATOM 0 H SER A 81 -22.114 2.622 11.457 1.00 0.00 H new ATOM 0 HA SER A 81 -24.494 1.172 10.529 1.00 0.00 H new ATOM 0 HB2 SER A 81 -23.089 3.446 9.077 1.00 0.00 H new ATOM 0 HB3 SER A 81 -24.045 2.247 8.229 1.00 0.00 H new ATOM 0 HG SER A 81 -25.291 4.118 8.803 1.00 0.00 H new ATOM 1224 N ARG A 82 -22.915 0.013 8.684 1.00 0.00 N ATOM 1225 CA ARG A 82 -22.019 -0.968 8.086 1.00 0.00 C ATOM 1226 C ARG A 82 -22.086 -0.908 6.562 1.00 0.00 C ATOM 1227 O ARG A 82 -22.894 -0.173 5.995 1.00 0.00 O ATOM 1228 CB ARG A 82 -22.375 -2.376 8.568 1.00 0.00 C ATOM 1229 CG ARG A 82 -22.001 -2.636 10.019 1.00 0.00 C ATOM 1230 CD ARG A 82 -21.941 -4.124 10.319 1.00 0.00 C ATOM 1231 NE ARG A 82 -23.235 -4.648 10.751 1.00 0.00 N ATOM 1232 CZ ARG A 82 -23.809 -4.333 11.906 1.00 0.00 C ATOM 1233 NH1 ARG A 82 -23.206 -3.498 12.742 1.00 0.00 N ATOM 1234 NH2 ARG A 82 -24.988 -4.850 12.228 1.00 0.00 N ATOM 0 H ARG A 82 -23.821 0.094 8.222 1.00 0.00 H new ATOM 0 HA ARG A 82 -21.002 -0.731 8.397 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -23.446 -2.533 8.444 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -21.870 -3.106 7.935 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -21.034 -2.181 10.234 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -22.730 -2.160 10.675 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -21.612 -4.660 9.429 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -21.198 -4.308 11.095 1.00 0.00 H new ATOM 0 HE ARG A 82 -23.725 -5.292 10.130 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -22.300 -3.097 12.498 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -23.648 -3.257 13.629 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -25.456 -5.491 11.587 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -25.426 -4.606 13.116 1.00 0.00 H new ATOM 1248 N PHE A 83 -21.233 -1.689 5.906 1.00 0.00 N ATOM 1249 CA PHE A 83 -21.194 -1.724 4.449 1.00 0.00 C ATOM 1250 C PHE A 83 -20.965 -3.145 3.945 1.00 0.00 C ATOM 1251 O PHE A 83 -20.486 -4.007 4.682 1.00 0.00 O ATOM 1252 CB PHE A 83 -20.092 -0.800 3.925 1.00 0.00 C ATOM 1253 CG PHE A 83 -20.191 0.607 4.441 1.00 0.00 C ATOM 1254 CD1 PHE A 83 -21.056 1.515 3.853 1.00 0.00 C ATOM 1255 CD2 PHE A 83 -19.420 1.020 5.516 1.00 0.00 C ATOM 1256 CE1 PHE A 83 -21.151 2.810 4.326 1.00 0.00 C ATOM 1257 CE2 PHE A 83 -19.511 2.313 5.994 1.00 0.00 C ATOM 1258 CZ PHE A 83 -20.377 3.210 5.397 1.00 0.00 C ATOM 0 H PHE A 83 -20.560 -2.306 6.361 1.00 0.00 H new ATOM 0 HA PHE A 83 -22.157 -1.377 4.076 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -19.122 -1.212 4.202 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -20.132 -0.782 2.836 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -21.664 1.207 3.015 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -18.741 0.324 5.985 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -21.830 3.508 3.859 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -18.906 2.623 6.833 1.00 0.00 H new ATOM 0 HZ PHE A 83 -20.448 4.222 5.768 1.00 0.00 H new ATOM 1268 N SER A 84 -21.312 -3.382 2.684 1.00 0.00 N ATOM 1269 CA SER A 84 -21.149 -4.700 2.081 1.00 0.00 C ATOM 1270 C SER A 84 -19.705 -4.921 1.640 1.00 0.00 C ATOM 1271 O SER A 84 -19.019 -5.811 2.142 1.00 0.00 O ATOM 1272 CB SER A 84 -22.090 -4.858 0.884 1.00 0.00 C ATOM 1273 OG SER A 84 -23.431 -5.027 1.310 1.00 0.00 O ATOM 0 H SER A 84 -21.708 -2.679 2.060 1.00 0.00 H new ATOM 0 HA SER A 84 -21.400 -5.449 2.832 1.00 0.00 H new ATOM 0 HB2 SER A 84 -22.017 -3.981 0.241 1.00 0.00 H new ATOM 0 HB3 SER A 84 -21.783 -5.717 0.287 1.00 0.00 H new ATOM 0 HG SER A 84 -24.013 -5.124 0.528 1.00 0.00 H new ATOM 1279 N THR A 85 -19.251 -4.102 0.695 1.00 0.00 N ATOM 1280 CA THR A 85 -17.890 -4.207 0.183 1.00 0.00 C ATOM 1281 C THR A 85 -17.119 -2.912 0.403 1.00 0.00 C ATOM 1282 O THR A 85 -17.657 -1.939 0.935 1.00 0.00 O ATOM 1283 CB THR A 85 -17.879 -4.548 -1.318 1.00 0.00 C ATOM 1284 OG1 THR A 85 -18.515 -3.504 -2.063 1.00 0.00 O ATOM 1285 CG2 THR A 85 -18.591 -5.868 -1.578 1.00 0.00 C ATOM 0 H THR A 85 -19.806 -3.359 0.269 1.00 0.00 H new ATOM 0 HA THR A 85 -17.407 -5.013 0.735 1.00 0.00 H new ATOM 0 HB THR A 85 -16.841 -4.642 -1.638 1.00 0.00 H new ATOM 0 HG1 THR A 85 -18.502 -3.728 -3.017 1.00 0.00 H new ATOM 0 HG21 THR A 85 -18.571 -6.088 -2.645 1.00 0.00 H new ATOM 0 HG22 THR A 85 -18.088 -6.666 -1.033 1.00 0.00 H new ATOM 0 HG23 THR A 85 -19.625 -5.796 -1.242 1.00 0.00 H new ATOM 1293 N LEU A 86 -15.855 -2.904 -0.006 1.00 0.00 N ATOM 1294 CA LEU A 86 -15.008 -1.725 0.146 1.00 0.00 C ATOM 1295 C LEU A 86 -15.424 -0.626 -0.826 1.00 0.00 C ATOM 1296 O LEU A 86 -15.496 0.546 -0.460 1.00 0.00 O ATOM 1297 CB LEU A 86 -13.541 -2.094 -0.081 1.00 0.00 C ATOM 1298 CG LEU A 86 -12.510 -1.076 0.405 1.00 0.00 C ATOM 1299 CD1 LEU A 86 -12.383 -1.126 1.920 1.00 0.00 C ATOM 1300 CD2 LEU A 86 -11.162 -1.325 -0.254 1.00 0.00 C ATOM 0 H LEU A 86 -15.394 -3.700 -0.445 1.00 0.00 H new ATOM 0 HA LEU A 86 -15.129 -1.350 1.162 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -13.345 -3.045 0.415 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -13.388 -2.254 -1.148 1.00 0.00 H new ATOM 0 HG LEU A 86 -12.851 -0.080 0.122 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -11.644 -0.394 2.248 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -13.347 -0.897 2.374 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -12.066 -2.123 2.226 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -10.441 -0.591 0.104 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -10.814 -2.327 -0.004 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -11.264 -1.236 -1.336 1.00 0.00 H new ATOM 1312 N ALA A 87 -15.699 -1.015 -2.068 1.00 0.00 N ATOM 1313 CA ALA A 87 -16.113 -0.064 -3.092 1.00 0.00 C ATOM 1314 C ALA A 87 -17.245 0.825 -2.591 1.00 0.00 C ATOM 1315 O ALA A 87 -17.438 1.937 -3.083 1.00 0.00 O ATOM 1316 CB ALA A 87 -16.535 -0.799 -4.356 1.00 0.00 C ATOM 0 H ALA A 87 -15.642 -1.982 -2.388 1.00 0.00 H new ATOM 0 HA ALA A 87 -15.261 0.575 -3.324 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -16.842 -0.076 -5.112 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -15.697 -1.385 -4.733 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -17.369 -1.463 -4.129 1.00 0.00 H new ATOM 1322 N GLU A 88 -17.993 0.327 -1.610 1.00 0.00 N ATOM 1323 CA GLU A 88 -19.108 1.078 -1.044 1.00 0.00 C ATOM 1324 C GLU A 88 -18.656 1.893 0.164 1.00 0.00 C ATOM 1325 O GLU A 88 -19.168 2.985 0.417 1.00 0.00 O ATOM 1326 CB GLU A 88 -20.238 0.127 -0.641 1.00 0.00 C ATOM 1327 CG GLU A 88 -20.658 -0.823 -1.748 1.00 0.00 C ATOM 1328 CD GLU A 88 -21.339 -0.112 -2.901 1.00 0.00 C ATOM 1329 OE1 GLU A 88 -20.719 -0.004 -3.979 1.00 0.00 O ATOM 1330 OE2 GLU A 88 -22.491 0.337 -2.724 1.00 0.00 O ATOM 0 H GLU A 88 -17.847 -0.592 -1.192 1.00 0.00 H new ATOM 0 HA GLU A 88 -19.476 1.765 -1.806 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -19.920 -0.455 0.224 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -21.102 0.714 -0.331 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -19.780 -1.352 -2.120 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -21.334 -1.574 -1.340 1.00 0.00 H new ATOM 1338 N LEU A 89 -17.699 1.354 0.910 1.00 0.00 N ATOM 1339 CA LEU A 89 -17.179 2.030 2.094 1.00 0.00 C ATOM 1340 C LEU A 89 -16.527 3.358 1.720 1.00 0.00 C ATOM 1341 O LEU A 89 -16.678 4.356 2.425 1.00 0.00 O ATOM 1342 CB LEU A 89 -16.166 1.137 2.811 1.00 0.00 C ATOM 1343 CG LEU A 89 -15.345 1.805 3.915 1.00 0.00 C ATOM 1344 CD1 LEU A 89 -14.856 0.769 4.916 1.00 0.00 C ATOM 1345 CD2 LEU A 89 -14.174 2.571 3.320 1.00 0.00 C ATOM 0 H LEU A 89 -17.267 0.451 0.717 1.00 0.00 H new ATOM 0 HA LEU A 89 -18.015 2.232 2.764 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -16.700 0.291 3.244 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -15.478 0.733 2.068 1.00 0.00 H new ATOM 0 HG LEU A 89 -15.985 2.514 4.440 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -14.274 1.262 5.695 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -15.712 0.266 5.366 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -14.232 0.036 4.405 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -13.601 3.040 4.120 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -13.532 1.884 2.769 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -14.548 3.340 2.644 1.00 0.00 H new ATOM 1357 N VAL A 90 -15.802 3.363 0.604 1.00 0.00 N ATOM 1358 CA VAL A 90 -15.131 4.570 0.135 1.00 0.00 C ATOM 1359 C VAL A 90 -16.059 5.413 -0.730 1.00 0.00 C ATOM 1360 O VAL A 90 -16.030 6.643 -0.674 1.00 0.00 O ATOM 1361 CB VAL A 90 -13.864 4.228 -0.670 1.00 0.00 C ATOM 1362 CG1 VAL A 90 -13.187 5.496 -1.164 1.00 0.00 C ATOM 1363 CG2 VAL A 90 -12.906 3.396 0.169 1.00 0.00 C ATOM 0 H VAL A 90 -15.665 2.546 0.009 1.00 0.00 H new ATOM 0 HA VAL A 90 -14.848 5.141 1.019 1.00 0.00 H new ATOM 0 HB VAL A 90 -14.156 3.638 -1.538 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -12.293 5.234 -1.731 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -13.874 6.049 -1.804 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -12.907 6.115 -0.311 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -12.017 3.164 -0.417 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -12.619 3.958 1.058 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -13.395 2.469 0.468 1.00 0.00 H new ATOM 1373 N HIS A 91 -16.883 4.745 -1.532 1.00 0.00 N ATOM 1374 CA HIS A 91 -17.821 5.434 -2.410 1.00 0.00 C ATOM 1375 C HIS A 91 -18.891 6.160 -1.599 1.00 0.00 C ATOM 1376 O HIS A 91 -19.376 7.219 -2.000 1.00 0.00 O ATOM 1377 CB HIS A 91 -18.478 4.441 -3.369 1.00 0.00 C ATOM 1378 CG HIS A 91 -19.436 5.078 -4.328 1.00 0.00 C ATOM 1379 ND1 HIS A 91 -19.130 6.204 -5.063 1.00 0.00 N ATOM 1380 CD2 HIS A 91 -20.700 4.741 -4.671 1.00 0.00 C ATOM 1381 CE1 HIS A 91 -20.165 6.531 -5.815 1.00 0.00 C ATOM 1382 NE2 HIS A 91 -21.131 5.659 -5.597 1.00 0.00 N ATOM 0 H HIS A 91 -16.920 3.727 -1.591 1.00 0.00 H new ATOM 0 HA HIS A 91 -17.265 6.172 -2.988 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -17.701 3.925 -3.933 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -19.006 3.684 -2.789 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -21.266 3.905 -4.288 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -20.213 7.370 -6.493 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -22.048 5.666 -6.043 1.00 0.00 H new ATOM 1391 N HIS A 92 -19.256 5.582 -0.459 1.00 0.00 N ATOM 1392 CA HIS A 92 -20.269 6.174 0.407 1.00 0.00 C ATOM 1393 C HIS A 92 -19.675 7.304 1.242 1.00 0.00 C ATOM 1394 O HIS A 92 -20.144 8.443 1.186 1.00 0.00 O ATOM 1395 CB HIS A 92 -20.873 5.109 1.324 1.00 0.00 C ATOM 1396 CG HIS A 92 -21.983 5.621 2.187 1.00 0.00 C ATOM 1397 ND1 HIS A 92 -23.312 5.336 1.950 1.00 0.00 N ATOM 1398 CD2 HIS A 92 -21.959 6.404 3.292 1.00 0.00 C ATOM 1399 CE1 HIS A 92 -24.056 5.921 2.872 1.00 0.00 C ATOM 1400 NE2 HIS A 92 -23.259 6.576 3.698 1.00 0.00 N ATOM 0 H HIS A 92 -18.866 4.705 -0.114 1.00 0.00 H new ATOM 0 HA HIS A 92 -21.056 6.587 -0.224 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -21.248 4.287 0.714 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -20.087 4.702 1.961 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -21.080 6.816 3.766 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -25.133 5.872 2.939 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -23.561 7.121 4.506 1.00 0.00 H new ATOM 1409 N HIS A 93 -18.645 6.983 2.017 1.00 0.00 N ATOM 1410 CA HIS A 93 -17.988 7.972 2.864 1.00 0.00 C ATOM 1411 C HIS A 93 -17.659 9.234 2.072 1.00 0.00 C ATOM 1412 O HIS A 93 -17.647 10.336 2.619 1.00 0.00 O ATOM 1413 CB HIS A 93 -16.711 7.389 3.469 1.00 0.00 C ATOM 1414 CG HIS A 93 -16.955 6.539 4.679 1.00 0.00 C ATOM 1415 ND1 HIS A 93 -17.789 6.918 5.709 1.00 0.00 N ATOM 1416 CD2 HIS A 93 -16.469 5.322 5.017 1.00 0.00 C ATOM 1417 CE1 HIS A 93 -17.806 5.971 6.630 1.00 0.00 C ATOM 1418 NE2 HIS A 93 -17.014 4.991 6.234 1.00 0.00 N ATOM 0 H HIS A 93 -18.247 6.046 2.076 1.00 0.00 H new ATOM 0 HA HIS A 93 -18.674 8.238 3.668 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -16.200 6.793 2.713 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -16.041 8.205 3.738 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -15.781 4.723 4.438 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -18.371 5.994 7.550 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -16.836 4.128 6.748 1.00 0.00 H new ATOM 1427 N SER A 94 -17.391 9.064 0.781 1.00 0.00 N ATOM 1428 CA SER A 94 -17.058 10.189 -0.086 1.00 0.00 C ATOM 1429 C SER A 94 -18.135 11.266 -0.015 1.00 0.00 C ATOM 1430 O SER A 94 -17.840 12.461 -0.079 1.00 0.00 O ATOM 1431 CB SER A 94 -16.890 9.714 -1.531 1.00 0.00 C ATOM 1432 OG SER A 94 -18.125 9.745 -2.224 1.00 0.00 O ATOM 0 H SER A 94 -17.398 8.158 0.312 1.00 0.00 H new ATOM 0 HA SER A 94 -16.117 10.617 0.260 1.00 0.00 H new ATOM 0 HB2 SER A 94 -16.166 10.347 -2.043 1.00 0.00 H new ATOM 0 HB3 SER A 94 -16.490 8.700 -1.540 1.00 0.00 H new ATOM 0 HG SER A 94 -18.563 8.871 -2.151 1.00 0.00 H new ATOM 1438 N THR A 95 -19.386 10.838 0.117 1.00 0.00 N ATOM 1439 CA THR A 95 -20.508 11.765 0.196 1.00 0.00 C ATOM 1440 C THR A 95 -20.584 12.420 1.570 1.00 0.00 C ATOM 1441 O THR A 95 -20.610 13.646 1.684 1.00 0.00 O ATOM 1442 CB THR A 95 -21.843 11.057 -0.097 1.00 0.00 C ATOM 1443 OG1 THR A 95 -21.746 10.310 -1.315 1.00 0.00 O ATOM 1444 CG2 THR A 95 -22.979 12.064 -0.204 1.00 0.00 C ATOM 0 H THR A 95 -19.648 9.854 0.172 1.00 0.00 H new ATOM 0 HA THR A 95 -20.338 12.532 -0.560 1.00 0.00 H new ATOM 0 HB THR A 95 -22.056 10.378 0.729 1.00 0.00 H new ATOM 0 HG1 THR A 95 -22.599 9.862 -1.493 1.00 0.00 H new ATOM 0 HG21 THR A 95 -23.912 11.540 -0.411 1.00 0.00 H new ATOM 0 HG22 THR A 95 -23.071 12.610 0.735 1.00 0.00 H new ATOM 0 HG23 THR A 95 -22.769 12.765 -1.012 1.00 0.00 H new ATOM 1452 N VAL A 96 -20.618 11.597 2.613 1.00 0.00 N ATOM 1453 CA VAL A 96 -20.690 12.097 3.980 1.00 0.00 C ATOM 1454 C VAL A 96 -19.657 11.414 4.870 1.00 0.00 C ATOM 1455 O VAL A 96 -19.418 10.213 4.751 1.00 0.00 O ATOM 1456 CB VAL A 96 -22.091 11.886 4.583 1.00 0.00 C ATOM 1457 CG1 VAL A 96 -22.480 10.417 4.526 1.00 0.00 C ATOM 1458 CG2 VAL A 96 -22.139 12.403 6.013 1.00 0.00 C ATOM 0 H VAL A 96 -20.597 10.580 2.537 1.00 0.00 H new ATOM 0 HA VAL A 96 -20.479 13.166 3.937 1.00 0.00 H new ATOM 0 HB VAL A 96 -22.811 12.452 3.992 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -23.473 10.287 4.956 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -22.487 10.083 3.489 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -21.759 9.827 5.092 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -23.136 12.246 6.423 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -21.409 11.866 6.619 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -21.906 13.468 6.023 1.00 0.00 H new ATOM 1468 N ALA A 97 -19.048 12.188 5.764 1.00 0.00 N ATOM 1469 CA ALA A 97 -18.043 11.656 6.675 1.00 0.00 C ATOM 1470 C ALA A 97 -18.530 10.376 7.344 1.00 0.00 C ATOM 1471 O ALA A 97 -17.861 9.343 7.291 1.00 0.00 O ATOM 1472 CB ALA A 97 -17.679 12.697 7.724 1.00 0.00 C ATOM 0 H ALA A 97 -19.234 13.185 5.876 1.00 0.00 H new ATOM 0 HA ALA A 97 -17.153 11.414 6.094 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -16.927 12.287 8.398 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -17.280 13.585 7.233 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -18.569 12.966 8.293 1.00 0.00 H new ATOM 1478 N ASP A 98 -19.698 10.449 7.971 1.00 0.00 N ATOM 1479 CA ASP A 98 -20.275 9.295 8.651 1.00 0.00 C ATOM 1480 C ASP A 98 -19.310 8.739 9.693 1.00 0.00 C ATOM 1481 O ASP A 98 -19.278 7.535 9.944 1.00 0.00 O ATOM 1482 CB ASP A 98 -20.633 8.207 7.638 1.00 0.00 C ATOM 1483 CG ASP A 98 -21.241 6.982 8.293 1.00 0.00 C ATOM 1484 OD1 ASP A 98 -21.057 5.870 7.757 1.00 0.00 O ATOM 1485 OD2 ASP A 98 -21.898 7.136 9.343 1.00 0.00 O ATOM 0 H ASP A 98 -20.265 11.296 8.023 1.00 0.00 H new ATOM 0 HA ASP A 98 -21.182 9.620 9.160 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -21.335 8.611 6.908 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -19.737 7.915 7.091 1.00 0.00 H new ATOM 1491 N GLY A 99 -18.524 9.626 10.296 1.00 0.00 N ATOM 1492 CA GLY A 99 -17.569 9.204 11.303 1.00 0.00 C ATOM 1493 C GLY A 99 -16.143 9.209 10.788 1.00 0.00 C ATOM 1494 O GLY A 99 -15.321 8.394 11.208 1.00 0.00 O ATOM 0 H GLY A 99 -18.532 10.628 10.105 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -17.642 9.864 12.168 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -17.825 8.201 11.645 1.00 0.00 H new ATOM 1498 N LEU A 100 -15.849 10.129 9.875 1.00 0.00 N ATOM 1499 CA LEU A 100 -14.513 10.236 9.300 1.00 0.00 C ATOM 1500 C LEU A 100 -14.002 11.671 9.373 1.00 0.00 C ATOM 1501 O LEU A 100 -14.763 12.622 9.198 1.00 0.00 O ATOM 1502 CB LEU A 100 -14.523 9.760 7.846 1.00 0.00 C ATOM 1503 CG LEU A 100 -14.545 8.244 7.636 1.00 0.00 C ATOM 1504 CD1 LEU A 100 -14.851 7.912 6.184 1.00 0.00 C ATOM 1505 CD2 LEU A 100 -13.220 7.628 8.059 1.00 0.00 C ATOM 0 H LEU A 100 -16.518 10.811 9.517 1.00 0.00 H new ATOM 0 HA LEU A 100 -13.843 9.601 9.880 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -15.394 10.188 7.350 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -13.642 10.163 7.346 1.00 0.00 H new ATOM 0 HG LEU A 100 -15.334 7.821 8.258 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -14.863 6.830 6.053 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -15.825 8.321 5.915 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -14.085 8.347 5.542 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -13.254 6.550 7.903 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -12.413 8.056 7.464 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -13.042 7.836 9.114 1.00 0.00 H new ATOM 1517 N VAL A 101 -12.706 11.820 9.631 1.00 0.00 N ATOM 1518 CA VAL A 101 -12.093 13.139 9.724 1.00 0.00 C ATOM 1519 C VAL A 101 -12.728 14.112 8.739 1.00 0.00 C ATOM 1520 O VAL A 101 -12.979 15.273 9.066 1.00 0.00 O ATOM 1521 CB VAL A 101 -10.576 13.072 9.458 1.00 0.00 C ATOM 1522 CG1 VAL A 101 -10.297 12.388 8.129 1.00 0.00 C ATOM 1523 CG2 VAL A 101 -9.969 14.467 9.487 1.00 0.00 C ATOM 0 H VAL A 101 -12.061 11.044 9.779 1.00 0.00 H new ATOM 0 HA VAL A 101 -12.262 13.495 10.740 1.00 0.00 H new ATOM 0 HB VAL A 101 -10.111 12.481 10.248 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -9.221 12.350 7.958 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -10.697 11.374 8.150 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -10.772 12.949 7.324 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -8.898 14.402 9.297 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -10.436 15.083 8.719 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -10.138 14.917 10.465 1.00 0.00 H new ATOM 1533 N THR A 102 -12.990 13.632 7.527 1.00 0.00 N ATOM 1534 CA THR A 102 -13.596 14.459 6.490 1.00 0.00 C ATOM 1535 C THR A 102 -13.924 13.634 5.252 1.00 0.00 C ATOM 1536 O THR A 102 -13.168 12.741 4.868 1.00 0.00 O ATOM 1537 CB THR A 102 -12.672 15.623 6.089 1.00 0.00 C ATOM 1538 OG1 THR A 102 -13.372 16.531 5.230 1.00 0.00 O ATOM 1539 CG2 THR A 102 -11.427 15.108 5.383 1.00 0.00 C ATOM 0 H THR A 102 -12.792 12.674 7.239 1.00 0.00 H new ATOM 0 HA THR A 102 -14.518 14.865 6.907 1.00 0.00 H new ATOM 0 HB THR A 102 -12.367 16.144 6.997 1.00 0.00 H new ATOM 0 HG1 THR A 102 -12.778 17.269 4.981 1.00 0.00 H new ATOM 0 HG21 THR A 102 -10.790 15.949 5.109 1.00 0.00 H new ATOM 0 HG22 THR A 102 -10.881 14.440 6.049 1.00 0.00 H new ATOM 0 HG23 THR A 102 -11.717 14.565 4.484 1.00 0.00 H new ATOM 1547 N THR A 103 -15.059 13.940 4.626 1.00 0.00 N ATOM 1548 CA THR A 103 -15.487 13.227 3.430 1.00 0.00 C ATOM 1549 C THR A 103 -14.364 13.149 2.403 1.00 0.00 C ATOM 1550 O THR A 103 -13.840 14.173 1.962 1.00 0.00 O ATOM 1551 CB THR A 103 -16.713 13.901 2.783 1.00 0.00 C ATOM 1552 OG1 THR A 103 -16.437 15.285 2.538 1.00 0.00 O ATOM 1553 CG2 THR A 103 -17.936 13.772 3.677 1.00 0.00 C ATOM 0 H THR A 103 -15.696 14.677 4.929 1.00 0.00 H new ATOM 0 HA THR A 103 -15.758 12.219 3.744 1.00 0.00 H new ATOM 0 HB THR A 103 -16.920 13.399 1.838 1.00 0.00 H new ATOM 0 HG1 THR A 103 -15.482 15.400 2.348 1.00 0.00 H new ATOM 0 HG21 THR A 103 -18.788 14.255 3.199 1.00 0.00 H new ATOM 0 HG22 THR A 103 -18.160 12.717 3.838 1.00 0.00 H new ATOM 0 HG23 THR A 103 -17.738 14.251 4.636 1.00 0.00 H new ATOM 1561 N LEU A 104 -13.997 11.929 2.025 1.00 0.00 N ATOM 1562 CA LEU A 104 -12.934 11.717 1.049 1.00 0.00 C ATOM 1563 C LEU A 104 -13.056 12.702 -0.110 1.00 0.00 C ATOM 1564 O LEU A 104 -13.987 12.619 -0.913 1.00 0.00 O ATOM 1565 CB LEU A 104 -12.978 10.283 0.522 1.00 0.00 C ATOM 1566 CG LEU A 104 -12.924 9.178 1.577 1.00 0.00 C ATOM 1567 CD1 LEU A 104 -13.156 7.817 0.938 1.00 0.00 C ATOM 1568 CD2 LEU A 104 -11.591 9.204 2.310 1.00 0.00 C ATOM 0 H LEU A 104 -14.420 11.072 2.380 1.00 0.00 H new ATOM 0 HA LEU A 104 -11.978 11.885 1.546 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -13.892 10.159 -0.059 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -12.143 10.144 -0.164 1.00 0.00 H new ATOM 0 HG LEU A 104 -13.718 9.356 2.302 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -13.114 7.043 1.705 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -14.136 7.802 0.460 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -12.385 7.630 0.191 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -11.571 8.410 3.057 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -10.781 9.052 1.597 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -11.465 10.169 2.802 1.00 0.00 H new ATOM 1580 N HIS A 105 -12.109 13.632 -0.193 1.00 0.00 N ATOM 1581 CA HIS A 105 -12.109 14.630 -1.256 1.00 0.00 C ATOM 1582 C HIS A 105 -11.656 14.017 -2.579 1.00 0.00 C ATOM 1583 O HIS A 105 -12.465 13.790 -3.479 1.00 0.00 O ATOM 1584 CB HIS A 105 -11.199 15.801 -0.886 1.00 0.00 C ATOM 1585 CG HIS A 105 -11.870 16.835 -0.036 1.00 0.00 C ATOM 1586 ND1 HIS A 105 -11.314 17.332 1.124 1.00 0.00 N ATOM 1587 CD2 HIS A 105 -13.057 17.468 -0.182 1.00 0.00 C ATOM 1588 CE1 HIS A 105 -12.131 18.225 1.655 1.00 0.00 C ATOM 1589 NE2 HIS A 105 -13.196 18.326 0.881 1.00 0.00 N ATOM 0 H HIS A 105 -11.332 13.715 0.463 1.00 0.00 H new ATOM 0 HA HIS A 105 -13.129 14.996 -1.376 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -10.326 15.419 -0.357 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -10.837 16.272 -1.800 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -13.764 17.325 -0.986 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -11.957 18.778 2.566 1.00 0.00 H new ATOM 0 HE2 HIS A 105 -13.993 18.941 1.046 1.00 0.00 H new ATOM 1598 N TYR A 106 -10.359 13.751 -2.687 1.00 0.00 N ATOM 1599 CA TYR A 106 -9.798 13.166 -3.899 1.00 0.00 C ATOM 1600 C TYR A 106 -9.054 11.872 -3.586 1.00 0.00 C ATOM 1601 O TYR A 106 -8.101 11.847 -2.806 1.00 0.00 O ATOM 1602 CB TYR A 106 -8.854 14.159 -4.579 1.00 0.00 C ATOM 1603 CG TYR A 106 -9.481 15.510 -4.836 1.00 0.00 C ATOM 1604 CD1 TYR A 106 -10.163 15.768 -6.019 1.00 0.00 C ATOM 1605 CD2 TYR A 106 -9.388 16.531 -3.898 1.00 0.00 C ATOM 1606 CE1 TYR A 106 -10.737 17.003 -6.258 1.00 0.00 C ATOM 1607 CE2 TYR A 106 -9.959 17.768 -4.128 1.00 0.00 C ATOM 1608 CZ TYR A 106 -10.633 17.999 -5.310 1.00 0.00 C ATOM 1609 OH TYR A 106 -11.202 19.228 -5.544 1.00 0.00 O ATOM 0 H TYR A 106 -9.677 13.931 -1.950 1.00 0.00 H new ATOM 0 HA TYR A 106 -10.621 12.935 -4.575 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -7.969 14.291 -3.957 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -8.518 13.738 -5.526 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -10.246 14.991 -6.764 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -8.860 16.354 -2.973 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -11.264 17.187 -7.183 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -9.878 18.550 -3.387 1.00 0.00 H new ATOM 0 HH TYR A 106 -11.039 19.816 -4.777 1.00 0.00 H new ATOM 1619 N PRO A 107 -9.497 10.769 -4.210 1.00 0.00 N ATOM 1620 CA PRO A 107 -8.887 9.451 -4.015 1.00 0.00 C ATOM 1621 C PRO A 107 -7.496 9.359 -4.631 1.00 0.00 C ATOM 1622 O PRO A 107 -6.542 8.939 -3.977 1.00 0.00 O ATOM 1623 CB PRO A 107 -9.854 8.504 -4.732 1.00 0.00 C ATOM 1624 CG PRO A 107 -10.526 9.352 -5.755 1.00 0.00 C ATOM 1625 CD PRO A 107 -10.628 10.727 -5.152 1.00 0.00 C ATOM 0 HA PRO A 107 -8.745 9.219 -2.959 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -9.323 7.672 -5.194 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -10.576 8.075 -4.037 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -9.952 9.374 -6.682 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -11.513 8.959 -6.000 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -10.549 11.506 -5.911 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -11.581 10.873 -4.643 1.00 0.00 H new ATOM 1633 N ALA A 108 -7.386 9.757 -5.895 1.00 0.00 N ATOM 1634 CA ALA A 108 -6.110 9.721 -6.599 1.00 0.00 C ATOM 1635 C ALA A 108 -6.233 10.339 -7.988 1.00 0.00 C ATOM 1636 O ALA A 108 -7.201 10.109 -8.714 1.00 0.00 O ATOM 1637 CB ALA A 108 -5.602 8.291 -6.699 1.00 0.00 C ATOM 0 H ALA A 108 -8.165 10.108 -6.452 1.00 0.00 H new ATOM 0 HA ALA A 108 -5.392 10.310 -6.029 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -4.649 8.280 -7.227 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -5.467 7.882 -5.698 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -6.326 7.685 -7.244 1.00 0.00 H new